# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_znn
_database_code_depnum_ccdc_archive 'CCDC 2047591'
loop_
_audit_author_name
_audit_author_address
'Melnikov Stanislav'
;NS Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
Russia
;
_audit_update_record             
;
2020-12-01 deposited with the CCDC.	2021-06-15 downloaded from the CCDC.
;
_audit_creation_date             2020-12-01
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C92 H72 Eu N3 O15 Zn2, 3.25(C2 H3 N)'
_chemical_formula_sum            'C98.50 H81.75 Eu N6.25 O15 Zn2'
_chemical_formula_weight         1875.65
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   17.717(2)
_cell_length_b                   28.415(4)
_cell_length_c                   18.868(3)
_cell_angle_alpha                90
_cell_angle_beta                 102.100(2)
_cell_angle_gamma                90
_cell_volume                     9288(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3774
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      20.81
_cell_measurement_theta_min      2.35
_shelx_estimated_absorpt_T_max   0.940
_shelx_estimated_absorpt_T_min   0.835
_exptl_absorpt_coefficient_mu    1.245
_exptl_absorpt_correction_T_max  0.7449
_exptl_absorpt_correction_T_min  0.6151
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.341
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             3838
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1267
_diffrn_reflns_av_unetI/netI     0.1371
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            66712
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.373
_diffrn_reflns_theta_min         1.316
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9445
_reflns_number_total             18997
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         1.381
_refine_diff_density_min         -1.987
_refine_diff_density_rms         0.139
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1112
_refine_ls_number_reflns         18997
_refine_ls_number_restraints     52
_refine_ls_R_factor_all          0.1739
_refine_ls_R_factor_gt           0.0867
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0769P)²+75.5039P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2008
_refine_ls_wR_factor_ref         0.2409
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 N1S-C1S = N2S_$1-C3S_$1 = N3S_$2-C5S_$2 = N4S_$3-C7S_$3
 1.2 with sigma of 0.01
 N95-C93
 0.001 with sigma of 2.63
 C1S-C2S = C3S_$1-C4S_$1 = C5S_$2-C6S_$2 = C7S_$3-C8S_$3
 1.4 with sigma of 0.01
 N2SA-C3SA
 1.2 with sigma of 0.01
 C3SA-C4SA
 1.4 with sigma of 0.01
 N1S-C2S = N2S_$1-C4S_$1 = N3S_$2-C6S_$2 = N4S_$3-C8S_$3
 2.6 with sigma of 0.02
 N2SA-C4SA
 2.6 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C72) \\sim Ueq, Uanis(C71) \\sim Ueq, Uanis(C78) \\sim Ueq, Uanis(C77)
\\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
Uanis(C1S) \\sim Ueq, Uanis(C2S) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
4. Others
 Sof(N2SA)=Sof(C3SA)=Sof(C4SA)=Sof(H4SD)=Sof(H4SE)=Sof(H4SF)=0.5*(1-FVAR(2))
 Sof(C4S)=Sof(H4SA)=Sof(H4SB)=Sof(H4SC)=Sof(C3S)=Sof(N2S)=0.5*FVAR(2)
 Fixed Sof: N1S(0.75) C2S(0.75) H2SA(0.75) H2SB(0.75) H2SC(0.75) C1S(0.75)
 C7S(0.5) N4S(0.5) C8S(0.5) H8SA(0.5) H8SB(0.5) H8SC(0.5) C93(0.5) H93A(0.5)
 H93B(0.5) H93C(0.5) C94(0.5) N95(0.5)
5.a Me refined with riding coordinates:
 C2S(H2SA,H2SB,H2SC), C4SA(H4SD,H4SE,H4SF), C6S(H6SA,H6SB,H6SC), C8S(H8SA,H8SB,
 H8SC)
5.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C6(H6), C7(H7), C9(H9), C10(H10), C11(H11), C12(H12),
 C13(H13), C16(H16), C17(H17), C19(H19), C20(H20), C22(H22), C23(H23), C24(H24),
  C25(H25), C26(H26), C29(H29), C30(H30), C32(H32), C33(H33), C35(H35),
 C36(H36), C37(H37), C38(H38), C39(H39), C42(H42), C43(H43), C45(H45), C46(H46),
  C48(H48), C49(H49), C50(H50), C51(H51), C52(H52), C55(H55), C56(H56),
 C58(H58), C59(H59), C61(H61), C62(H62), C63(H63), C64(H64), C65(H65), C68(H68),
  C69(H69), C71(H71), C72(H72), C74(H74), C75(H75), C76(H76), C77(H77),
 C78(H78), C81(H81), C82(H82), C83(H83), C88(H88), C89(H89), C90(H90)
5.c Idealised Me refined as rotating group:
 C84(H84A,H84B,H84C), C85(H85A,H85B,H85C), C91(H91A,H91B,H91C), C92(H92A,H92B,
 H92C), C4S(H4SA,H4SB,H4SC), C93(H93A,H93B,H93C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.25693(3) 0.25998(2) 0.20566(3) 0.03215(15) Uani 1 1 d . . . . .
Zn1 Zn 0.08712(6) 0.30817(4) 0.04637(6) 0.0337(3) Uani 1 1 d . . . . .
Zn2 Zn 0.42748(6) 0.31140(4) 0.36539(6) 0.0331(3) Uani 1 1 d . . . . .
N1 N 0.0104(4) 0.3337(3) -0.0409(4) 0.038(2) Uani 1 1 d . . . . .
N2 N 0.5067(5) 0.3371(3) 0.4522(4) 0.040(2) Uani 1 1 d . . . . .
N3 N 0.2525(6) 0.1576(4) 0.2159(5) 0.054(3) Uani 1 1 d . . . . .
O1 O 0.1363(4) 0.2611(3) -0.0029(3) 0.0398(17) Uani 1 1 d . . . . .
O2 O 0.2138(4) 0.2271(2) 0.0906(3) 0.0383(17) Uani 1 1 d . . . . .
O3 O 0.0289(4) 0.2829(3) 0.1146(4) 0.0399(17) Uani 1 1 d . . . . .
O4 O 0.1303(4) 0.2789(3) 0.2058(4) 0.0417(18) Uani 1 1 d . . . . .
O5 O 0.1456(4) 0.3662(3) 0.0740(4) 0.0454(19) Uani 1 1 d . . . . .
O6 O 0.2455(4) 0.3206(3) 0.1194(4) 0.0445(19) Uani 1 1 d . . . . .
O7 O 0.3857(4) 0.2739(3) 0.2069(4) 0.0436(19) Uani 1 1 d . . . . .
O8 O 0.4863(3) 0.2841(3) 0.2978(3) 0.0381(17) Uani 1 1 d . . . . .
O9 O 0.2975(5) 0.2355(3) 0.3252(4) 0.058(2) Uani 1 1 d . . . . .
O10 O 0.3775(4) 0.2668(3) 0.4195(3) 0.0402(17) Uani 1 1 d . . . . .
O11 O 0.2686(4) 0.3298(3) 0.2747(4) 0.0453(19) Uani 1 1 d . . . . .
O12 O 0.3668(4) 0.3688(3) 0.3412(4) 0.0424(18) Uani 1 1 d . . . . .
O13 O 0.1948(4) 0.1826(3) 0.2203(4) 0.0442(18) Uani 1 1 d . . . . .
O14 O 0.3123(4) 0.1787(3) 0.2044(4) 0.0447(19) Uani 1 1 d . . . . .
O15 O 0.2499(5) 0.1148(3) 0.2197(5) 0.069(3) Uani 1 1 d . . . . .
C1 C 0.1904(6) 0.2340(4) 0.0244(6) 0.037(2) Uani 1 1 d . . . . .
C2 C 0.2313(5) 0.2087(4) -0.0277(5) 0.036(2) Uani 1 1 d . . . . .
C3 C 0.2943(6) 0.1794(4) 0.0007(6) 0.043(3) Uani 1 1 d . . . . .
H3 H 0.3089 0.1739 0.0503 0.052 Uiso 1 1 calc R U . . .
C4 C 0.3340(6) 0.1590(5) -0.0473(6) 0.054(3) Uani 1 1 d . . . . .
H4 H 0.3748 0.1388 -0.0295 0.064 Uiso 1 1 calc R U . . .
C5 C 0.3143(6) 0.1680(4) -0.1225(5) 0.041(3) Uani 1 1 d . . . . .
C6 C 0.2516(7) 0.1954(4) -0.1469(6) 0.050(3) Uani 1 1 d . . . . .
H6 H 0.2354 0.2001 -0.1966 0.060 Uiso 1 1 calc R U . . .
C7 C 0.2112(7) 0.2164(4) -0.1009(6) 0.050(3) Uani 1 1 d . . . . .
H7 H 0.1698 0.2360 -0.1195 0.060 Uiso 1 1 calc R U . . .
C8 C 0.3617(7) 0.1489(5) -0.1717(6) 0.061(4) Uani 1 1 d . . . . .
C9 C 0.3303(8) 0.1348(5) -0.2401(7) 0.070(4) Uani 1 1 d . . . . .
H9 H 0.2769 0.1360 -0.2558 0.084 Uiso 1 1 calc R U . . .
C10 C 0.3740(9) 0.1186(6) -0.2876(7) 0.087(5) Uani 1 1 d . . . . .
H10 H 0.3499 0.1076 -0.3331 0.104 Uiso 1 1 calc R U . . .
C11 C 0.4491(9) 0.1188(6) -0.2686(7) 0.079(4) Uani 1 1 d . . . . .
H11 H 0.4779 0.1076 -0.3010 0.094 Uiso 1 1 calc R U . . .
C12 C 0.4881(8) 0.1357(5) -0.1996(8) 0.075(4) Uani 1 1 d . . . . .
H12 H 0.5416 0.1367 -0.1866 0.090 Uiso 1 1 calc R U . . .
C13 C 0.4417(7) 0.1508(5) -0.1520(7) 0.061(3) Uani 1 1 d . . . . .
H13 H 0.4650 0.1622 -0.1065 0.073 Uiso 1 1 calc R U . . .
C14 C 0.0596(6) 0.2725(4) 0.1795(6) 0.038(3) Uani 1 1 d . . . . .
C15 C 0.0113(5) 0.2531(4) 0.2263(5) 0.040(3) Uani 1 1 d . . . . .
C16 C -0.0670(6) 0.2472(4) 0.2002(6) 0.051(3) Uani 1 1 d . . . . .
H16 H -0.0888 0.2551 0.1524 0.062 Uiso 1 1 calc R U . . .
C17 C -0.1120(6) 0.2300(4) 0.2441(6) 0.050(3) Uani 1 1 d . . . . .
H17 H -0.1651 0.2290 0.2264 0.060 Uiso 1 1 calc R U . . .
C18 C -0.0838(6) 0.2140(4) 0.3129(6) 0.045(3) Uani 1 1 d . . . . .
C19 C -0.0047(6) 0.2203(4) 0.3392(6) 0.043(3) Uani 1 1 d . . . . .
H19 H 0.0168 0.2114 0.3866 0.052 Uiso 1 1 calc R U . . .
C20 C 0.0423(5) 0.2392(4) 0.2970(5) 0.039(2) Uani 1 1 d . . . . .
H20 H 0.0948 0.2428 0.3159 0.047 Uiso 1 1 calc R U . . .
C21 C -0.1349(6) 0.1932(4) 0.3584(6) 0.046(3) Uani 1 1 d . . . . .
C22 C -0.1231(7) 0.2046(5) 0.4328(7) 0.060(3) Uani 1 1 d . . . . .
H22 H -0.0843 0.2253 0.4542 0.072 Uiso 1 1 calc R U . . .
C23 C -0.1710(9) 0.1842(5) 0.4721(9) 0.077(4) Uani 1 1 d . . . . .
H23 H -0.1639 0.1902 0.5216 0.092 Uiso 1 1 calc R U . . .
C24 C -0.2293(9) 0.1550(6) 0.4393(8) 0.084(5) Uani 1 1 d . . . . .
H24 H -0.2635 0.1433 0.4664 0.100 Uiso 1 1 calc R U . . .
C25 C -0.2391(9) 0.1423(6) 0.3682(9) 0.094(5) Uani 1 1 d . . . . .
H25 H -0.2777 0.1215 0.3471 0.113 Uiso 1 1 calc R U . . .
C26 C -0.1887(7) 0.1620(5) 0.3281(7) 0.068(4) Uani 1 1 d . . . . .
H26 H -0.1926 0.1533 0.2800 0.082 Uiso 1 1 calc R U . . .
C27 C 0.2161(6) 0.3607(4) 0.1041(5) 0.038(3) Uani 1 1 d . . . . .
C28 C 0.2673(6) 0.4024(4) 0.1206(6) 0.039(2) Uani 1 1 d . . . . .
C29 C 0.3449(6) 0.3972(4) 0.1512(5) 0.040(3) Uani 1 1 d . . . . .
H29 H 0.3659 0.3672 0.1599 0.048 Uiso 1 1 calc R U . . .
C30 C 0.3913(6) 0.4364(4) 0.1688(6) 0.044(3) Uani 1 1 d . . . . .
H30 H 0.4432 0.4323 0.1902 0.053 Uiso 1 1 calc R U . . .
C31 C 0.3626(6) 0.4810(4) 0.1556(6) 0.044(3) Uani 1 1 d . . . . .
C32 C 0.2856(6) 0.4863(4) 0.1237(7) 0.058(3) Uani 1 1 d . . . . .
H32 H 0.2653 0.5163 0.1138 0.069 Uiso 1 1 calc R U . . .
C33 C 0.2385(6) 0.4477(4) 0.1063(6) 0.049(3) Uani 1 1 d . . . . .
H33 H 0.1868 0.4520 0.0848 0.059 Uiso 1 1 calc R U . . .
C34 C 0.4121(6) 0.5226(4) 0.1769(7) 0.049(3) Uani 1 1 d . . . . .
C35 C 0.3846(7) 0.5637(4) 0.2023(6) 0.054(3) Uani 1 1 d . . . . .
H35 H 0.3326 0.5653 0.2040 0.064 Uiso 1 1 calc R U . . .
C36 C 0.4302(7) 0.6016(5) 0.2248(7) 0.059(3) Uani 1 1 d . . . . .
H36 H 0.4097 0.6283 0.2421 0.070 Uiso 1 1 calc R U . . .
C37 C 0.5075(8) 0.5999(5) 0.2217(8) 0.076(4) Uani 1 1 d . . . . .
H37 H 0.5397 0.6253 0.2381 0.091 Uiso 1 1 calc R U . . .
C38 C 0.5370(7) 0.5604(5) 0.1939(8) 0.070(4) Uani 1 1 d . . . . .
H38 H 0.5885 0.5598 0.1902 0.084 Uiso 1 1 calc R U . . .
C39 C 0.4902(6) 0.5220(4) 0.1717(7) 0.053(3) Uani 1 1 d . . . . .
H39 H 0.5105 0.4957 0.1531 0.063 Uiso 1 1 calc R U . . .
C40 C 0.4555(6) 0.2700(4) 0.2353(5) 0.035(2) Uani 1 1 d . . . . .
C41 C 0.5078(5) 0.2477(4) 0.1914(5) 0.032(2) Uani 1 1 d . . . . .
C42 C 0.5838(5) 0.2376(4) 0.2215(5) 0.040(3) Uani 1 1 d . . . . .
H42 H 0.6037 0.2455 0.2696 0.048 Uiso 1 1 calc R U . . .
C43 C 0.6311(6) 0.2158(4) 0.1812(5) 0.042(3) Uani 1 1 d . . . . .
H43 H 0.6815 0.2078 0.2032 0.051 Uiso 1 1 calc R U . . .
C44 C 0.6033(6) 0.2059(4) 0.1080(5) 0.038(2) Uani 1 1 d . . . . .
C45 C 0.5268(6) 0.2158(4) 0.0792(6) 0.043(3) Uani 1 1 d . . . . .
H45 H 0.5068 0.2086 0.0308 0.052 Uiso 1 1 calc R U . . .
C46 C 0.4797(5) 0.2356(4) 0.1190(5) 0.037(2) Uani 1 1 d . . . . .
H46 H 0.4282 0.2411 0.0979 0.045 Uiso 1 1 calc R U . . .
C47 C 0.6543(6) 0.1840(4) 0.0651(6) 0.049(3) Uani 1 1 d . . . . .
C48 C 0.7120(7) 0.1546(5) 0.0966(7) 0.064(4) Uani 1 1 d . . . . .
H48 H 0.7179 0.1472 0.1455 0.077 Uiso 1 1 calc R U . . .
C49 C 0.7625(9) 0.1353(6) 0.0571(9) 0.081(5) Uani 1 1 d . . . . .
H49 H 0.8011 0.1148 0.0796 0.097 Uiso 1 1 calc R U . . .
C50 C 0.7556(8) 0.1463(6) -0.0159(9) 0.080(5) Uani 1 1 d . . . . .
H50 H 0.7908 0.1346 -0.0417 0.096 Uiso 1 1 calc R U . . .
C51 C 0.6960(8) 0.1749(5) -0.0494(7) 0.065(4) Uani 1 1 d . . . . .
H51 H 0.6883 0.1812 -0.0987 0.079 Uiso 1 1 calc R U . . .
C52 C 0.6483(7) 0.1939(5) -0.0085(6) 0.054(3) Uani 1 1 d . . . . .
H52 H 0.6098 0.2144 -0.0309 0.064 Uiso 1 1 calc R U . . .
C53 C 0.3212(6) 0.2400(4) 0.3905(5) 0.037(2) Uani 1 1 d . . . . .
C54 C 0.2839(6) 0.2130(4) 0.4416(5) 0.038(3) Uani 1 1 d . . . . .
C55 C 0.2325(6) 0.1784(4) 0.4166(6) 0.048(3) Uani 1 1 d . . . . .
H55 H 0.2212 0.1716 0.3673 0.057 Uiso 1 1 calc R U . . .
C56 C 0.1967(7) 0.1534(5) 0.4617(6) 0.056(3) Uani 1 1 d . . . . .
H56 H 0.1631 0.1292 0.4430 0.067 Uiso 1 1 calc R U . . .
C57 C 0.2099(6) 0.1636(4) 0.5351(6) 0.041(3) Uani 1 1 d . . . . .
C58 C 0.2620(7) 0.1997(4) 0.5613(6) 0.049(3) Uani 1 1 d . . . . .
H58 H 0.2712 0.2080 0.6101 0.059 Uiso 1 1 calc R U . . .
C59 C 0.2995(6) 0.2228(4) 0.5154(6) 0.047(3) Uani 1 1 d . . . . .
H59 H 0.3361 0.2455 0.5338 0.057 Uiso 1 1 calc R U . . .
C60 C 0.1730(6) 0.1370(5) 0.5886(6) 0.050(3) Uani 1 1 d . . . . .
C61 C 0.1808(7) 0.0871(5) 0.5923(7) 0.064(4) Uani 1 1 d . . . . .
H61 H 0.2060 0.0708 0.5614 0.077 Uiso 1 1 calc R U . . .
C62 C 0.1485(8) 0.0637(5) 0.6447(8) 0.071(4) Uani 1 1 d . . . . .
H62 H 0.1526 0.0311 0.6491 0.085 Uiso 1 1 calc R U . . .
C63 C 0.1108(7) 0.0889(5) 0.6898(7) 0.061(4) Uani 1 1 d . . . . .
H63 H 0.0893 0.0732 0.7241 0.073 Uiso 1 1 calc R U . . .
C64 C 0.1053(8) 0.1352(5) 0.6843(7) 0.061(3) Uani 1 1 d . . . . .
H64 H 0.0809 0.1518 0.7157 0.073 Uiso 1 1 calc R U . . .
C65 C 0.1350(7) 0.1597(5) 0.6328(7) 0.060(3) Uani 1 1 d . . . . .
H65 H 0.1286 0.1921 0.6289 0.072 Uiso 1 1 calc R U . . .
C66 C 0.2965(6) 0.3656(4) 0.3060(5) 0.034(2) Uani 1 1 d . . . . .
C67 C 0.2472(6) 0.4082(4) 0.3061(5) 0.037(2) Uani 1 1 d . . . . .
C68 C 0.1743(6) 0.4092(5) 0.2644(7) 0.064(4) Uani 1 1 d . . . . .
H68 H 0.1573 0.3841 0.2335 0.077 Uiso 1 1 calc R U . . .
C69 C 0.1247(7) 0.4472(5) 0.2669(7) 0.064(4) Uani 1 1 d . . . . .
H69 H 0.0757 0.4471 0.2373 0.077 Uiso 1 1 calc R U . . .
C70 C 0.1465(6) 0.4834(4) 0.3109(7) 0.050(3) Uani 1 1 d . . . . .
C71 C 0.2178(10) 0.4817(6) 0.3565(9) 0.094(5) Uani 1 1 d . U . . .
H71 H 0.2324 0.5054 0.3906 0.113 Uiso 1 1 calc R U . . .
C72 C 0.2689(9) 0.4445(6) 0.3523(9) 0.085(5) Uani 1 1 d . U . . .
H72 H 0.3181 0.4448 0.3815 0.102 Uiso 1 1 calc R U . . .
C73 C 0.0911(7) 0.5232(4) 0.3193(7) 0.057(3) Uani 1 1 d . . . . .
C74 C 0.1133(7) 0.5645(5) 0.3479(7) 0.060(3) Uani 1 1 d . . . . .
H74 H 0.1658 0.5704 0.3632 0.072 Uiso 1 1 calc R U . . .
C75 C 0.0609(9) 0.5993(5) 0.3560(7) 0.069(4) Uani 1 1 d . . . . .
H75 H 0.0786 0.6277 0.3779 0.083 Uiso 1 1 calc R U . . .
C76 C -0.0158(9) 0.5923(5) 0.3322(9) 0.084(5) Uani 1 1 d . . . . .
H76 H -0.0504 0.6170 0.3318 0.101 Uiso 1 1 calc R U . . .
C77 C -0.0414(12) 0.5492(7) 0.3092(11) 0.119(6) Uani 1 1 d . U . . .
H77 H -0.0940 0.5428 0.2991 0.143 Uiso 1 1 calc R U . . .
C78 C 0.0122(11) 0.5135(7) 0.3004(10) 0.112(6) Uani 1 1 d . U . . .
H78 H -0.0051 0.4841 0.2822 0.134 Uiso 1 1 calc R U . . .
C79 C -0.0418(6) 0.3676(4) -0.0379(6) 0.048(3) Uani 1 1 d . . . . .
C80 C -0.0832(7) 0.3899(4) -0.0994(7) 0.055(3) Uani 1 1 d . . . . .
C81 C -0.0726(7) 0.3741(5) -0.1646(7) 0.063(4) Uani 1 1 d . . . . .
H81 H -0.1012 0.3875 -0.2068 0.075 Uiso 1 1 calc R U . . .
C82 C -0.0199(8) 0.3384(5) -0.1699(7) 0.069(4) Uani 1 1 d . . . . .
H82 H -0.0116 0.3283 -0.2146 0.083 Uiso 1 1 calc R U . . .
C83 C 0.0182(7) 0.3194(4) -0.1075(6) 0.053(3) Uani 1 1 d . . . . .
H83 H 0.0522 0.2949 -0.1101 0.064 Uiso 1 1 calc R U . . .
C84 C -0.0503(7) 0.3821(5) 0.0367(6) 0.060(4) Uani 1 1 d . . . . .
H84A H -0.1038 0.3878 0.0365 0.090 Uiso 1 1 calc R U . . .
H84B H -0.0212 0.4103 0.0508 0.090 Uiso 1 1 calc R U . . .
H84C H -0.0313 0.3574 0.0706 0.090 Uiso 1 1 calc R U . . .
C85 C -0.1403(8) 0.4273(5) -0.0947(8) 0.084(5) Uani 1 1 d . . . . .
H85A H -0.1763 0.4160 -0.0670 0.126 Uiso 1 1 calc R U . . .
H85B H -0.1676 0.4355 -0.1426 0.126 Uiso 1 1 calc R U . . .
H85C H -0.1141 0.4545 -0.0716 0.126 Uiso 1 1 calc R U . . .
C86 C 0.5588(6) 0.3699(4) 0.4457(6) 0.041(3) Uani 1 1 d . . . . .
C87 C 0.6092(6) 0.3881(4) 0.5082(7) 0.057(3) Uani 1 1 d . . . . .
C88 C 0.6008(8) 0.3724(5) 0.5745(7) 0.068(4) Uani 1 1 d . . . . .
H88 H 0.6323 0.3842 0.6165 0.082 Uiso 1 1 calc R U . . .
C89 C 0.5451(8) 0.3389(5) 0.5790(6) 0.063(4) Uani 1 1 d . . . . .
H89 H 0.5390 0.3280 0.6239 0.076 Uiso 1 1 calc R U . . .
C90 C 0.5000(7) 0.3223(4) 0.5178(5) 0.045(3) Uani 1 1 d . . . . .
H90 H 0.4628 0.2998 0.5212 0.055 Uiso 1 1 calc R U . . .
C91 C 0.5667(7) 0.3842(4) 0.3728(7) 0.058(3) Uani 1 1 d . . . . .
H91A H 0.5877 0.4154 0.3747 0.086 Uiso 1 1 calc R U . . .
H91B H 0.5169 0.3837 0.3407 0.086 Uiso 1 1 calc R U . . .
H91C H 0.6005 0.3627 0.3554 0.086 Uiso 1 1 calc R U . . .
C92 C 0.6710(8) 0.4223(5) 0.5018(8) 0.086(5) Uani 1 1 d . . . . .
H92A H 0.7038 0.4090 0.4725 0.128 Uiso 1 1 calc R U . . .
H92B H 0.7009 0.4293 0.5491 0.128 Uiso 1 1 calc R U . . .
H92C H 0.6479 0.4507 0.4795 0.128 Uiso 1 1 calc R U . . .
N1S N 0.5390(13) 0.4919(9) 0.6267(13) 0.145(9) Uani 0.75 1 d D . P . .
C2S C 0.4264(13) 0.4564(9) 0.5328(13) 0.126(9) Uani 0.75 1 d D U P . .
H2SA H 0.3760 0.4628 0.5419 0.190 Uiso 0.75 1 calc R U P . .
H2SB H 0.4300 0.4691 0.4865 0.190 Uiso 0.75 1 calc R U P . .
H2SC H 0.4346 0.4230 0.5329 0.190 Uiso 0.75 1 calc R U P . .
C1S C 0.4819(13) 0.4771(9) 0.5864(13) 0.106(8) Uani 0.75 1 d D U P . .
C4S C 0.331(3) 0.4687(18) -0.049(3) 0.030(16) Uiso 0.17(3) 1 d . . P A 3
H4SA H 0.3128 0.4634 -0.0998 0.046 Uiso 0.17(3) 1 calc R U P A 3
H4SB H 0.3418 0.5015 -0.0403 0.046 Uiso 0.17(3) 1 calc R U P A 3
H4SC H 0.2915 0.4592 -0.0235 0.046 Uiso 0.17(3) 1 calc R U P A 3
C3S C 0.398(3) 0.4423(15) -0.024(3) 0.013(12) Uiso 0.17(3) 1 d . . P A 3
N2S N 0.460(2) 0.424(2) -0.007(3) 0.040(16) Uiso 0.17(3) 1 d . . P A 3
N2SA N 0.371(2) 0.4705(11) -0.029(2) 0.065(11) Uiso 0.33(3) 1 d D . P A 4
C3SA C 0.429(3) 0.4472(10) -0.013(2) 0.046(10) Uiso 0.33(3) 1 d D . P A 4
C4SA C 0.4741(19) 0.4061(11) -0.005(2) 0.040(9) Uiso 0.33(3) 1 d D . P A 4
H4SD H 0.5271 0.4142 0.0142 0.060 Uiso 0.33(3) 1 calc R U P A 4
H4SE H 0.4563 0.3852 0.0283 0.060 Uiso 0.33(3) 1 calc R U P A 4
H4SF H 0.4696 0.3909 -0.0509 0.060 Uiso 0.33(3) 1 calc R U P A 4
C6S C 0.254(3) 0.0211(11) -0.161(2) 0.36(3) Uiso 1 1 d . . . . .
H6SA H 0.2144 0.0281 -0.1352 0.547 Uiso 1 1 calc R U . . .
H6SB H 0.3035 0.0219 -0.1285 0.547 Uiso 1 1 calc R U . . .
H6SC H 0.2530 0.0439 -0.1988 0.547 Uiso 1 1 calc R U . . .
C5S C 0.2414(15) -0.0241(9) -0.1922(14) 0.163(10) Uiso 1 1 d . . . . .
N3S N 0.2501(11) -0.0588(8) -0.2254(11) 0.158(7) Uiso 1 1 d . . . . .
C7S C 0.093(2) 0.4785(13) -0.089(3) 0.150(17) Uiso 0.5 1 d . . P . .
N4S N 0.125(2) 0.4412(13) -0.088(2) 0.154(14) Uiso 0.5 1 d . . P . .
C8S C 0.028(2) 0.5066(14) -0.090(3) 0.161(19) Uiso 0.5 1 d . . P . .
H8SA H 0.0417 0.5392 -0.0900 0.241 Uiso 0.5 1 calc R U P . .
H8SB H -0.0110 0.4997 -0.1325 0.241 Uiso 0.5 1 calc R U P . .
H8SC H 0.0072 0.5001 -0.0475 0.241 Uiso 0.5 1 calc R U P . .
C93 C 0.0721(14) 0.4372(9) 0.4781(14) 0.060(7) Uiso 0.5 1 d D . P . .
H93A H 0.0824 0.4324 0.4307 0.089 Uiso 0.5 1 calc R U P . .
H93B H 0.0173 0.4374 0.4750 0.089 Uiso 0.5 1 calc R U P . .
H93C H 0.0950 0.4122 0.5096 0.089 Uiso 0.5 1 calc R U P . .
C94 C 0.1019(18) 0.4784(12) 0.5045(18) 0.083(9) Uiso 0.5 1 d . . P . .
N95 N 0.1151(19) 0.5172(12) 0.5264(18) 0.120(11) Uiso 0.5 1 d D . P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 N3 2.918(11) . ?
Eu1 O2 2.340(6) . ?
Eu1 O4 2.307(6) . ?
Eu1 O6 2.350(7) . ?
Eu1 O7 2.311(7) . ?
Eu1 O9 2.325(7) . ?
Eu1 O11 2.360(7) . ?
Eu1 O13 2.501(7) . ?
Eu1 O14 2.511(8) . ?
Zn1 N1 2.036(8) . ?
Zn1 O1 1.938(7) . ?
Zn1 O3 1.948(7) . ?
Zn1 O5 1.959(7) . ?
Zn2 N2 2.054(8) . ?
Zn2 O8 1.968(6) . ?
Zn2 O10 1.952(7) . ?
Zn2 O12 1.954(7) . ?
N1 C79 1.342(13) . ?
N1 C83 1.356(13) . ?
N2 C86 1.335(13) . ?
N2 C90 1.335(13) . ?
N3 O13 1.262(12) . ?
N3 O14 1.276(12) . ?
N3 O15 1.221(12) . ?
O1 C1 1.253(12) . ?
O2 C1 1.246(11) . ?
O3 C14 1.267(12) . ?
O4 C14 1.261(11) . ?
O5 C27 1.269(12) . ?
O6 C27 1.261(12) . ?
O7 C40 1.245(11) . ?
O8 C40 1.258(11) . ?
O9 C53 1.223(11) . ?
O10 C53 1.283(12) . ?
O11 C66 1.226(12) . ?
O12 C66 1.285(11) . ?
C1 C2 1.518(14) . ?
C2 C3 1.406(14) . ?
C2 C7 1.369(14) . ?
C3 H3 0.9300 . ?
C3 C4 1.384(15) . ?
C4 H4 0.9300 . ?
C4 C5 1.411(15) . ?
C5 C6 1.356(15) . ?
C5 C8 1.479(16) . ?
C6 H6 0.9300 . ?
C6 C7 1.373(15) . ?
C7 H7 0.9300 . ?
C8 C9 1.356(16) . ?
C8 C13 1.389(16) . ?
C9 H9 0.9300 . ?
C9 C10 1.379(17) . ?
C10 H10 0.9300 . ?
C10 C11 1.303(18) . ?
C11 H11 0.9300 . ?
C11 C12 1.424(19) . ?
C12 H12 0.9300 . ?
C12 C13 1.404(17) . ?
C13 H13 0.9300 . ?
C14 C15 1.460(13) . ?
C15 C16 1.380(13) . ?
C15 C20 1.389(14) . ?
C16 H16 0.9300 . ?
C16 C17 1.357(15) . ?
C17 H17 0.9300 . ?
C17 C18 1.367(14) . ?
C18 C19 1.396(14) . ?
C18 C21 1.495(15) . ?
C19 H19 0.9300 . ?
C19 C20 1.376(14) . ?
C20 H20 0.9300 . ?
C21 C22 1.414(16) . ?
C21 C26 1.339(17) . ?
C22 H22 0.9300 . ?
C22 C23 1.368(17) . ?
C23 H23 0.9300 . ?
C23 C24 1.37(2) . ?
C24 H24 0.9300 . ?
C24 C25 1.36(2) . ?
C25 H25 0.9300 . ?
C25 C26 1.402(18) . ?
C26 H26 0.9300 . ?
C27 C28 1.484(15) . ?
C28 C29 1.383(14) . ?
C28 C33 1.391(15) . ?
C29 H29 0.9300 . ?
C29 C30 1.383(14) . ?
C30 H30 0.9300 . ?
C30 C31 1.371(15) . ?
C31 C32 1.378(14) . ?
C31 C34 1.477(15) . ?
C32 H32 0.9300 . ?
C32 C33 1.374(15) . ?
C33 H33 0.9300 . ?
C34 C35 1.388(16) . ?
C34 C39 1.408(15) . ?
C35 H35 0.9300 . ?
C35 C36 1.360(16) . ?
C36 H36 0.9300 . ?
C36 C37 1.384(17) . ?
C37 H37 0.9300 . ?
C37 C38 1.387(18) . ?
C38 H38 0.9300 . ?
C38 C39 1.380(16) . ?
C39 H39 0.9300 . ?
C40 C41 1.505(13) . ?
C41 C42 1.377(12) . ?
C41 C46 1.395(13) . ?
C42 H42 0.9300 . ?
C42 C43 1.389(14) . ?
C43 H43 0.9300 . ?
C43 C44 1.396(13) . ?
C44 C45 1.379(14) . ?
C44 C47 1.471(14) . ?
C45 H45 0.9300 . ?
C45 C46 1.356(14) . ?
C46 H46 0.9300 . ?
C47 C48 1.358(16) . ?
C47 C52 1.398(15) . ?
C48 H48 0.9300 . ?
C48 C49 1.392(17) . ?
C49 H49 0.9300 . ?
C49 C50 1.39(2) . ?
C50 H50 0.9300 . ?
C50 C51 1.376(19) . ?
C51 H51 0.9300 . ?
C51 C52 1.368(16) . ?
C52 H52 0.9300 . ?
C53 C54 1.490(14) . ?
C54 C55 1.356(14) . ?
C54 C59 1.390(14) . ?
C55 H55 0.9300 . ?
C55 C56 1.363(15) . ?
C56 H56 0.9300 . ?
C56 C57 1.386(15) . ?
C57 C58 1.398(15) . ?
C57 C60 1.515(14) . ?
C58 H58 0.9300 . ?
C58 C59 1.365(15) . ?
C59 H59 0.9300 . ?
C60 C61 1.425(17) . ?
C60 C65 1.341(16) . ?
C61 H61 0.9300 . ?
C61 C62 1.410(17) . ?
C62 H62 0.9300 . ?
C62 C63 1.387(18) . ?
C63 H63 0.9300 . ?
C63 C64 1.322(17) . ?
C64 H64 0.9300 . ?
C64 C65 1.385(16) . ?
C65 H65 0.9300 . ?
C66 C67 1.494(14) . ?
C67 C68 1.364(14) . ?
C67 C72 1.352(17) . ?
C68 H68 0.9300 . ?
C68 C69 1.398(16) . ?
C69 H69 0.9300 . ?
C69 C70 1.326(16) . ?
C70 C71 1.372(18) . ?
C70 C73 1.529(16) . ?
C71 H71 0.9300 . ?
C71 C72 1.40(2) . ?
C72 H72 0.9300 . ?
C73 C74 1.315(16) . ?
C73 C78 1.40(2) . ?
C74 H74 0.9300 . ?
C74 C75 1.388(17) . ?
C75 H75 0.9300 . ?
C75 C76 1.352(19) . ?
C76 H76 0.9300 . ?
C76 C77 1.35(2) . ?
C77 H77 0.9300 . ?
C77 C78 1.42(2) . ?
C78 H78 0.9300 . ?
C79 C80 1.389(15) . ?
C79 C84 1.505(15) . ?
C80 C81 1.359(17) . ?
C80 C85 1.482(16) . ?
C81 H81 0.9300 . ?
C81 C82 1.397(17) . ?
C82 H82 0.9300 . ?
C82 C83 1.343(16) . ?
C83 H83 0.9300 . ?
C84 H84A 0.9600 . ?
C84 H84B 0.9600 . ?
C84 H84C 0.9600 . ?
C85 H85A 0.9600 . ?
C85 H85B 0.9600 . ?
C85 H85C 0.9600 . ?
C86 C87 1.419(15) . ?
C86 C91 1.468(16) . ?
C87 C88 1.365(18) . ?
C87 C92 1.488(18) . ?
C88 H88 0.9300 . ?
C88 C89 1.388(18) . ?
C89 H89 0.9300 . ?
C89 C90 1.344(15) . ?
C90 H90 0.9300 . ?
C91 H91A 0.9600 . ?
C91 H91B 0.9600 . ?
C91 H91C 0.9600 . ?
C92 H92A 0.9600 . ?
C92 H92B 0.9600 . ?
C92 H92C 0.9600 . ?
N1S C1S 1.207(9) . ?
C2S H2SA 0.9600 . ?
C2S H2SB 0.9600 . ?
C2S H2SC 0.9600 . ?
C2S C1S 1.386(9) . ?
C4S H4SA 0.9600 . ?
C4S H4SB 0.9600 . ?
C4S H4SC 0.9600 . ?
C4S C3S 1.399(10) . ?
C3S N2S 1.200(9) . ?
N2SA C3SA 1.204(10) . ?
C3SA C4SA 1.405(10) . ?
C4SA H4SD 0.9600 . ?
C4SA H4SE 0.9600 . ?
C4SA H4SF 0.9600 . ?
C6S H6SA 0.9600 . ?
C6S H6SB 0.9600 . ?
C6S H6SC 0.9600 . ?
C6S C5S 1.410(9) . ?
C5S N3S 1.195(9) . ?
C7S N4S 1.205(10) . ?
C7S C8S 1.400(10) . ?
C8S H8SA 0.9600 . ?
C8S H8SB 0.9600 . ?
C8S H8SC 0.9600 . ?
C93 H93A 0.9600 . ?
C93 H93B 0.9600 . ?
C93 H93C 0.9600 . ?
C93 C94 1.34(4) . ?
C94 N95 1.18(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Eu1 N3 69.8(2) . . ?
O2 Eu1 O6 71.7(2) . . ?
O2 Eu1 O11 145.3(3) . . ?
O2 Eu1 O13 71.7(2) . . ?
O2 Eu1 O14 71.1(2) . . ?
O4 Eu1 N3 101.1(3) . . ?
O4 Eu1 O2 88.0(2) . . ?
O4 Eu1 O6 83.5(2) . . ?
O4 Eu1 O7 156.7(3) . . ?
O4 Eu1 O9 99.9(3) . . ?
O4 Eu1 O11 77.0(2) . . ?
O4 Eu1 O13 75.8(3) . . ?
O4 Eu1 O14 126.6(3) . . ?
O6 Eu1 N3 141.0(3) . . ?
O6 Eu1 O11 75.5(3) . . ?
O6 Eu1 O13 138.2(2) . . ?
O6 Eu1 O14 130.2(3) . . ?
O7 Eu1 N3 102.1(3) . . ?
O7 Eu1 O2 102.0(2) . . ?
O7 Eu1 O6 79.8(2) . . ?
O7 Eu1 O9 86.4(3) . . ?
O7 Eu1 O11 83.0(2) . . ?
O7 Eu1 O13 127.3(3) . . ?
O7 Eu1 O14 76.7(3) . . ?
O9 Eu1 N3 69.2(3) . . ?
O9 Eu1 O2 139.0(3) . . ?
O9 Eu1 O6 148.8(3) . . ?
O9 Eu1 O11 75.1(3) . . ?
O9 Eu1 O13 71.6(3) . . ?
O9 Eu1 O14 72.1(3) . . ?
O11 Eu1 N3 143.4(3) . . ?
O11 Eu1 O13 132.0(3) . . ?
O11 Eu1 O14 142.2(2) . . ?
O13 Eu1 N3 25.5(3) . . ?
O13 Eu1 O14 51.3(2) . . ?
O14 Eu1 N3 25.8(3) . . ?
O1 Zn1 N1 98.6(3) . . ?
O1 Zn1 O3 114.7(3) . . ?
O1 Zn1 O5 116.3(3) . . ?
O3 Zn1 N1 108.0(3) . . ?
O3 Zn1 O5 117.2(3) . . ?
O5 Zn1 N1 98.1(3) . . ?
O8 Zn2 N2 106.9(3) . . ?
O10 Zn2 N2 97.0(3) . . ?
O10 Zn2 O8 116.3(3) . . ?
O10 Zn2 O12 112.1(3) . . ?
O12 Zn2 N2 98.1(3) . . ?
O12 Zn2 O8 121.2(3) . . ?
C79 N1 Zn1 124.8(7) . . ?
C79 N1 C83 117.3(9) . . ?
C83 N1 Zn1 117.5(7) . . ?
C86 N2 Zn2 123.0(7) . . ?
C86 N2 C90 120.1(9) . . ?
C90 N2 Zn2 116.7(7) . . ?
O13 N3 Eu1 58.4(6) . . ?
O13 N3 O14 117.4(10) . . ?
O14 N3 Eu1 59.0(6) . . ?
O15 N3 Eu1 179.3(9) . . ?
O15 N3 O13 121.1(11) . . ?
O15 N3 O14 121.5(11) . . ?
C1 O1 Zn1 127.5(7) . . ?
C1 O2 Eu1 147.4(7) . . ?
C14 O3 Zn1 123.1(6) . . ?
C14 O4 Eu1 148.4(7) . . ?
C27 O5 Zn1 115.5(7) . . ?
C27 O6 Eu1 142.5(7) . . ?
C40 O7 Eu1 151.5(7) . . ?
C40 O8 Zn2 123.3(6) . . ?
C53 O9 Eu1 156.6(8) . . ?
C53 O10 Zn2 124.0(6) . . ?
C66 O11 Eu1 160.5(7) . . ?
C66 O12 Zn2 119.2(7) . . ?
N3 O13 Eu1 96.1(7) . . ?
N3 O14 Eu1 95.2(6) . . ?
O1 C1 C2 116.8(9) . . ?
O2 C1 O1 125.0(10) . . ?
O2 C1 C2 118.1(9) . . ?
C3 C2 C1 118.8(9) . . ?
C7 C2 C1 121.3(9) . . ?
C7 C2 C3 119.8(10) . . ?
C2 C3 H3 121.0 . . ?
C4 C3 C2 118.0(10) . . ?
C4 C3 H3 121.0 . . ?
C3 C4 H4 119.0 . . ?
C3 C4 C5 122.0(10) . . ?
C5 C4 H4 119.0 . . ?
C4 C5 C8 120.8(10) . . ?
C6 C5 C4 117.3(10) . . ?
C6 C5 C8 122.0(10) . . ?
C5 C6 H6 118.9 . . ?
C5 C6 C7 122.2(10) . . ?
C7 C6 H6 118.9 . . ?
C2 C7 C6 120.6(10) . . ?
C2 C7 H7 119.7 . . ?
C6 C7 H7 119.7 . . ?
C9 C8 C5 122.2(11) . . ?
C9 C8 C13 117.2(12) . . ?
C13 C8 C5 120.0(10) . . ?
C8 C9 H9 118.6 . . ?
C8 C9 C10 122.9(13) . . ?
C10 C9 H9 118.6 . . ?
C9 C10 H10 120.0 . . ?
C11 C10 C9 120.1(14) . . ?
C11 C10 H10 120.0 . . ?
C10 C11 H11 119.2 . . ?
C10 C11 C12 121.6(14) . . ?
C12 C11 H11 119.2 . . ?
C11 C12 H12 121.6 . . ?
C13 C12 C11 116.8(13) . . ?
C13 C12 H12 121.6 . . ?
C8 C13 C12 121.2(12) . . ?
C8 C13 H13 119.4 . . ?
C12 C13 H13 119.4 . . ?
O3 C14 C15 119.0(9) . . ?
O4 C14 O3 122.4(9) . . ?
O4 C14 C15 118.6(9) . . ?
C16 C15 C14 120.1(9) . . ?
C16 C15 C20 118.3(9) . . ?
C20 C15 C14 121.6(9) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 C15 120.0(10) . . ?
C17 C16 H16 120.0 . . ?
C16 C17 H17 118.1 . . ?
C16 C17 C18 123.7(10) . . ?
C18 C17 H17 118.1 . . ?
C17 C18 C19 115.9(10) . . ?
C17 C18 C21 122.1(10) . . ?
C19 C18 C21 122.0(10) . . ?
C18 C19 H19 119.1 . . ?
C20 C19 C18 121.8(10) . . ?
C20 C19 H19 119.1 . . ?
C15 C20 H20 120.0 . . ?
C19 C20 C15 120.1(9) . . ?
C19 C20 H20 120.0 . . ?
C22 C21 C18 119.9(11) . . ?
C26 C21 C18 118.7(11) . . ?
C26 C21 C22 121.3(11) . . ?
C21 C22 H22 121.2 . . ?
C23 C22 C21 117.6(13) . . ?
C23 C22 H22 121.2 . . ?
C22 C23 H23 119.8 . . ?
C22 C23 C24 120.5(14) . . ?
C24 C23 H23 119.8 . . ?
C23 C24 H24 118.9 . . ?
C25 C24 C23 122.2(14) . . ?
C25 C24 H24 118.9 . . ?
C24 C25 H25 121.2 . . ?
C24 C25 C26 117.5(15) . . ?
C26 C25 H25 121.2 . . ?
C21 C26 C25 120.7(13) . . ?
C21 C26 H26 119.6 . . ?
C25 C26 H26 119.6 . . ?
O5 C27 C28 119.8(10) . . ?
O6 C27 O5 122.3(10) . . ?
O6 C27 C28 117.9(9) . . ?
C29 C28 C27 120.9(10) . . ?
C29 C28 C33 118.1(10) . . ?
C33 C28 C27 121.0(10) . . ?
C28 C29 H29 119.9 . . ?
C28 C29 C30 120.2(10) . . ?
C30 C29 H29 119.9 . . ?
C29 C30 H30 119.3 . . ?
C31 C30 C29 121.4(10) . . ?
C31 C30 H30 119.3 . . ?
C30 C31 C32 118.4(11) . . ?
C30 C31 C34 120.9(10) . . ?
C32 C31 C34 120.6(10) . . ?
C31 C32 H32 119.6 . . ?
C33 C32 C31 120.9(11) . . ?
C33 C32 H32 119.6 . . ?
C28 C33 H33 119.6 . . ?
C32 C33 C28 120.8(10) . . ?
C32 C33 H33 119.6 . . ?
C35 C34 C31 122.4(10) . . ?
C35 C34 C39 117.1(11) . . ?
C39 C34 C31 120.6(10) . . ?
C34 C35 H35 118.5 . . ?
C36 C35 C34 123.1(12) . . ?
C36 C35 H35 118.5 . . ?
C35 C36 H36 120.4 . . ?
C35 C36 C37 119.2(12) . . ?
C37 C36 H36 120.4 . . ?
C36 C37 H37 120.1 . . ?
C36 C37 C38 119.9(13) . . ?
C38 C37 H37 120.1 . . ?
C37 C38 H38 119.8 . . ?
C39 C38 C37 120.4(12) . . ?
C39 C38 H38 119.8 . . ?
C34 C39 H39 119.8 . . ?
C38 C39 C34 120.4(12) . . ?
C38 C39 H39 119.8 . . ?
O7 C40 O8 124.9(9) . . ?
O7 C40 C41 118.1(9) . . ?
O8 C40 C41 117.0(8) . . ?
C42 C41 C40 121.5(8) . . ?
C42 C41 C46 118.0(9) . . ?
C46 C41 C40 120.5(8) . . ?
C41 C42 H42 119.4 . . ?
C41 C42 C43 121.1(9) . . ?
C43 C42 H42 119.4 . . ?
C42 C43 H43 119.9 . . ?
C42 C43 C44 120.2(9) . . ?
C44 C43 H43 119.9 . . ?
C43 C44 C47 120.0(9) . . ?
C45 C44 C43 117.5(9) . . ?
C45 C44 C47 122.4(10) . . ?
C44 C45 H45 118.8 . . ?
C46 C45 C44 122.3(10) . . ?
C46 C45 H45 118.8 . . ?
C41 C46 H46 119.7 . . ?
C45 C46 C41 120.7(9) . . ?
C45 C46 H46 119.7 . . ?
C48 C47 C44 120.8(11) . . ?
C48 C47 C52 116.8(11) . . ?
C52 C47 C44 122.3(11) . . ?
C47 C48 H48 119.4 . . ?
C47 C48 C49 121.2(13) . . ?
C49 C48 H48 119.4 . . ?
C48 C49 H49 119.7 . . ?
C50 C49 C48 120.5(14) . . ?
C50 C49 H49 119.7 . . ?
C49 C50 H50 120.4 . . ?
C51 C50 C49 119.1(12) . . ?
C51 C50 H50 120.4 . . ?
C50 C51 H51 120.7 . . ?
C52 C51 C50 118.6(12) . . ?
C52 C51 H51 120.7 . . ?
C47 C52 H52 118.2 . . ?
C51 C52 C47 123.6(12) . . ?
C51 C52 H52 118.2 . . ?
O9 C53 O10 124.3(10) . . ?
O9 C53 C54 119.5(10) . . ?
O10 C53 C54 116.2(8) . . ?
C55 C54 C53 120.4(9) . . ?
C55 C54 C59 118.1(10) . . ?
C59 C54 C53 121.5(10) . . ?
C54 C55 H55 119.1 . . ?
C54 C55 C56 121.8(10) . . ?
C56 C55 H55 119.1 . . ?
C55 C56 H56 119.6 . . ?
C55 C56 C57 120.8(11) . . ?
C57 C56 H56 119.6 . . ?
C56 C57 C58 117.9(10) . . ?
C56 C57 C60 123.7(10) . . ?
C58 C57 C60 118.4(10) . . ?
C57 C58 H58 120.0 . . ?
C59 C58 C57 120.0(10) . . ?
C59 C58 H58 120.0 . . ?
C54 C59 H59 119.4 . . ?
C58 C59 C54 121.3(11) . . ?
C58 C59 H59 119.4 . . ?
C61 C60 C57 118.6(11) . . ?
C65 C60 C57 121.2(12) . . ?
C65 C60 C61 120.2(12) . . ?
C60 C61 H61 121.4 . . ?
C62 C61 C60 117.1(12) . . ?
C62 C61 H61 121.4 . . ?
C61 C62 H62 119.9 . . ?
C63 C62 C61 120.3(13) . . ?
C63 C62 H62 119.9 . . ?
C62 C63 H63 119.9 . . ?
C64 C63 C62 120.2(13) . . ?
C64 C63 H63 119.9 . . ?
C63 C64 H64 119.3 . . ?
C63 C64 C65 121.5(13) . . ?
C65 C64 H64 119.3 . . ?
C60 C65 C64 120.7(13) . . ?
C60 C65 H65 119.7 . . ?
C64 C65 H65 119.7 . . ?
O11 C66 O12 123.9(10) . . ?
O11 C66 C67 119.7(9) . . ?
O12 C66 C67 116.4(9) . . ?
C68 C67 C66 120.0(10) . . ?
C72 C67 C66 122.1(11) . . ?
C72 C67 C68 117.5(12) . . ?
C67 C68 H68 119.3 . . ?
C67 C68 C69 121.5(11) . . ?
C69 C68 H68 119.3 . . ?
C68 C69 H69 119.4 . . ?
C70 C69 C68 121.1(11) . . ?
C70 C69 H69 119.4 . . ?
C69 C70 C71 118.3(12) . . ?
C69 C70 C73 122.1(10) . . ?
C71 C70 C73 119.2(12) . . ?
C70 C71 H71 119.7 . . ?
C70 C71 C72 120.7(16) . . ?
C72 C71 H71 119.7 . . ?
C67 C72 C71 120.7(15) . . ?
C67 C72 H72 119.6 . . ?
C71 C72 H72 119.6 . . ?
C74 C73 C70 124.0(11) . . ?
C74 C73 C78 118.6(14) . . ?
C78 C73 C70 117.2(13) . . ?
C73 C74 H74 119.0 . . ?
C73 C74 C75 122.1(13) . . ?
C75 C74 H74 119.0 . . ?
C74 C75 H75 119.8 . . ?
C76 C75 C74 120.4(13) . . ?
C76 C75 H75 119.8 . . ?
C75 C76 H76 120.4 . . ?
C77 C76 C75 119.2(16) . . ?
C77 C76 H76 120.4 . . ?
C76 C77 H77 120.0 . . ?
C76 C77 C78 120.0(19) . . ?
C78 C77 H77 120.0 . . ?
C73 C78 C77 119.1(18) . . ?
C73 C78 H78 120.5 . . ?
C77 C78 H78 120.5 . . ?
N1 C79 C80 122.7(11) . . ?
N1 C79 C84 116.1(10) . . ?
C80 C79 C84 121.1(11) . . ?
C79 C80 C85 121.7(12) . . ?
C81 C80 C79 117.1(11) . . ?
C81 C80 C85 121.0(11) . . ?
C80 C81 H81 119.1 . . ?
C80 C81 C82 121.8(11) . . ?
C82 C81 H81 119.1 . . ?
C81 C82 H82 121.7 . . ?
C83 C82 C81 116.7(12) . . ?
C83 C82 H82 121.7 . . ?
N1 C83 H83 117.9 . . ?
C82 C83 N1 124.3(12) . . ?
C82 C83 H83 117.9 . . ?
C79 C84 H84A 109.5 . . ?
C79 C84 H84B 109.5 . . ?
C79 C84 H84C 109.5 . . ?
H84A C84 H84B 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C80 C85 H85A 109.5 . . ?
C80 C85 H85B 109.5 . . ?
C80 C85 H85C 109.5 . . ?
H85A C85 H85B 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
N2 C86 C87 120.3(11) . . ?
N2 C86 C91 118.8(9) . . ?
C87 C86 C91 120.7(11) . . ?
C86 C87 C92 121.1(13) . . ?
C88 C87 C86 118.2(12) . . ?
C88 C87 C92 120.7(12) . . ?
C87 C88 H88 120.2 . . ?
C87 C88 C89 119.7(11) . . ?
C89 C88 H88 120.2 . . ?
C88 C89 H89 120.3 . . ?
C90 C89 C88 119.4(12) . . ?
C90 C89 H89 120.3 . . ?
N2 C90 C89 122.3(11) . . ?
N2 C90 H90 118.8 . . ?
C89 C90 H90 118.8 . . ?
C86 C91 H91A 109.5 . . ?
C86 C91 H91B 109.5 . . ?
C86 C91 H91C 109.5 . . ?
H91A C91 H91B 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C87 C92 H92A 109.5 . . ?
C87 C92 H92B 109.5 . . ?
C87 C92 H92C 109.5 . . ?
H92A C92 H92B 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
H2SA C2S H2SB 109.5 . . ?
H2SA C2S H2SC 109.5 . . ?
H2SB C2S H2SC 109.5 . . ?
C1S C2S H2SA 109.5 . . ?
C1S C2S H2SB 109.5 . . ?
C1S C2S H2SC 109.5 . . ?
N1S C1S C2S 169(3) . . ?
H4SA C4S H4SB 109.5 . . ?
H4SA C4S H4SC 109.5 . . ?
H4SB C4S H4SC 109.5 . . ?
C3S C4S H4SA 109.5 . . ?
C3S C4S H4SB 109.5 . . ?
C3S C4S H4SC 109.5 . . ?
N2S C3S C4S 172(5) . . ?
N2SA C3SA C4SA 157(3) . . ?
C3SA C4SA H4SD 109.5 . . ?
C3SA C4SA H4SE 109.5 . . ?
C3SA C4SA H4SF 109.5 . . ?
H4SD C4SA H4SE 109.5 . . ?
H4SD C4SA H4SF 109.5 . . ?
H4SE C4SA H4SF 109.5 . . ?
H6SA C6S H6SB 109.5 . . ?
H6SA C6S H6SC 109.5 . . ?
H6SB C6S H6SC 109.5 . . ?
C5S C6S H6SA 109.5 . . ?
C5S C6S H6SB 109.5 . . ?
C5S C6S H6SC 109.5 . . ?
N3S C5S C6S 160(3) . . ?
N4S C7S C8S 153(4) . . ?
C7S C8S H8SA 109.5 . . ?
C7S C8S H8SB 109.5 . . ?
C7S C8S H8SC 109.5 . . ?
H8SA C8S H8SB 109.5 . . ?
H8SA C8S H8SC 109.5 . . ?
H8SB C8S H8SC 109.5 . . ?
H93A C93 H93B 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
C94 C93 H93A 109.5 . . ?
C94 C93 H93B 109.5 . . ?
C94 C93 H93C 109.5 . . ?
N95 C94 C93 168(4) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 O2 C1 O1 -51.6(18) . . . . ?
Eu1 O2 C1 C2 126.8(11) . . . . ?
Eu1 O4 C14 O3 -65.7(18) . . . . ?
Eu1 O4 C14 C15 115.5(12) . . . . ?
Eu1 O6 C27 O5 -79.9(14) . . . . ?
Eu1 O6 C27 C28 101.6(12) . . . . ?
Eu1 O7 C40 O8 -58(2) . . . . ?
Eu1 O7 C40 C41 123.0(13) . . . . ?
Eu1 O9 C53 O10 -46(3) . . . . ?
Eu1 O9 C53 C54 134.0(16) . . . . ?
Eu1 O11 C66 O12 -38(3) . . . . ?
Eu1 O11 C66 C67 143.5(18) . . . . ?
Zn1 N1 C79 C80 168.0(9) . . . . ?
Zn1 N1 C79 C84 -8.9(14) . . . . ?
Zn1 N1 C83 C82 -169.4(11) . . . . ?
Zn1 O1 C1 O2 12.7(15) . . . . ?
Zn1 O1 C1 C2 -165.7(6) . . . . ?
Zn1 O3 C14 O4 2.2(15) . . . . ?
Zn1 O3 C14 C15 -179.0(7) . . . . ?
Zn1 O5 C27 O6 -4.4(13) . . . . ?
Zn1 O5 C27 C28 174.0(7) . . . . ?
Zn2 N2 C86 C87 176.5(8) . . . . ?
Zn2 N2 C86 C91 -7.9(13) . . . . ?
Zn2 N2 C90 C89 -175.6(10) . . . . ?
Zn2 O8 C40 O7 4.3(15) . . . . ?
Zn2 O8 C40 C41 -177.1(6) . . . . ?
Zn2 O10 C53 O9 8.0(15) . . . . ?
Zn2 O10 C53 C54 -172.2(7) . . . . ?
Zn2 O12 C66 O11 -14.0(13) . . . . ?
Zn2 O12 C66 C67 164.3(7) . . . . ?
N1 C79 C80 C81 4.0(19) . . . . ?
N1 C79 C80 C85 -179.8(12) . . . . ?
N2 C86 C87 C88 -2.4(17) . . . . ?
N2 C86 C87 C92 176.0(11) . . . . ?
O1 C1 C2 C3 177.5(9) . . . . ?
O1 C1 C2 C7 1.8(15) . . . . ?
O2 C1 C2 C3 -1.1(14) . . . . ?
O2 C1 C2 C7 -176.8(10) . . . . ?
O3 C14 C15 C16 -1.3(17) . . . . ?
O3 C14 C15 C20 177.5(10) . . . . ?
O4 C14 C15 C16 177.5(11) . . . . ?
O4 C14 C15 C20 -3.7(17) . . . . ?
O5 C27 C28 C29 -177.9(10) . . . . ?
O5 C27 C28 C33 2.7(16) . . . . ?
O6 C27 C28 C29 0.6(15) . . . . ?
O6 C27 C28 C33 -178.8(10) . . . . ?
O7 C40 C41 C42 -173.0(10) . . . . ?
O7 C40 C41 C46 5.3(15) . . . . ?
O8 C40 C41 C42 8.4(15) . . . . ?
O8 C40 C41 C46 -173.4(9) . . . . ?
O9 C53 C54 C55 10.2(16) . . . . ?
O9 C53 C54 C59 -168.7(11) . . . . ?
O10 C53 C54 C55 -169.6(10) . . . . ?
O10 C53 C54 C59 11.5(15) . . . . ?
O11 C66 C67 C68 -8.0(16) . . . . ?
O11 C66 C67 C72 164.9(12) . . . . ?
O12 C66 C67 C68 173.6(10) . . . . ?
O12 C66 C67 C72 -13.5(16) . . . . ?
O13 N3 O14 Eu1 2.2(9) . . . . ?
O14 N3 O13 Eu1 -2.3(9) . . . . ?
O15 N3 O13 Eu1 -179.4(9) . . . . ?
O15 N3 O14 Eu1 179.4(9) . . . . ?
C1 C2 C3 C4 -176.0(10) . . . . ?
C1 C2 C7 C6 176.2(11) . . . . ?
C2 C3 C4 C5 2.0(18) . . . . ?
C3 C2 C7 C6 0.5(18) . . . . ?
C3 C4 C5 C6 -3.9(18) . . . . ?
C3 C4 C5 C8 174.9(12) . . . . ?
C4 C5 C6 C7 4.3(19) . . . . ?
C4 C5 C8 C9 145.2(14) . . . . ?
C4 C5 C8 C13 -43.5(19) . . . . ?
C5 C6 C7 C2 -2.7(19) . . . . ?
C5 C8 C9 C10 177.4(14) . . . . ?
C5 C8 C13 C12 -175.8(13) . . . . ?
C6 C5 C8 C9 -36(2) . . . . ?
C6 C5 C8 C13 135.3(13) . . . . ?
C7 C2 C3 C4 -0.2(17) . . . . ?
C8 C5 C6 C7 -174.5(12) . . . . ?
C8 C9 C10 C11 -4(3) . . . . ?
C9 C8 C13 C12 -4(2) . . . . ?
C9 C10 C11 C12 0(3) . . . . ?
C10 C11 C12 C13 2(2) . . . . ?
C11 C12 C13 C8 0(2) . . . . ?
C13 C8 C9 C10 6(2) . . . . ?
C14 C15 C16 C17 -178.8(11) . . . . ?
C14 C15 C20 C19 -178.9(10) . . . . ?
C15 C16 C17 C18 -5(2) . . . . ?
C16 C15 C20 C19 0.0(17) . . . . ?
C16 C17 C18 C19 5.7(19) . . . . ?
C16 C17 C18 C21 -177.1(12) . . . . ?
C17 C18 C19 C20 -3.1(17) . . . . ?
C17 C18 C21 C22 -138.6(13) . . . . ?
C17 C18 C21 C26 45.0(17) . . . . ?
C18 C19 C20 C15 0.5(18) . . . . ?
C18 C21 C22 C23 -179.3(12) . . . . ?
C18 C21 C26 C25 -178.6(13) . . . . ?
C19 C18 C21 C22 38.5(17) . . . . ?
C19 C18 C21 C26 -138.0(13) . . . . ?
C20 C15 C16 C17 2.4(18) . . . . ?
C21 C18 C19 C20 179.6(11) . . . . ?
C21 C22 C23 C24 -2(2) . . . . ?
C22 C21 C26 C25 5(2) . . . . ?
C22 C23 C24 C25 5(3) . . . . ?
C23 C24 C25 C26 -3(3) . . . . ?
C24 C25 C26 C21 -2(2) . . . . ?
C26 C21 C22 C23 -3(2) . . . . ?
C27 C28 C29 C30 -177.5(10) . . . . ?
C27 C28 C33 C32 178.0(11) . . . . ?
C28 C29 C30 C31 -1.2(17) . . . . ?
C29 C28 C33 C32 -1.4(17) . . . . ?
C29 C30 C31 C32 -0.2(18) . . . . ?
C29 C30 C31 C34 177.9(11) . . . . ?
C30 C31 C32 C33 0.7(19) . . . . ?
C30 C31 C34 C35 -143.7(12) . . . . ?
C30 C31 C34 C39 36.7(17) . . . . ?
C31 C32 C33 C28 0(2) . . . . ?
C31 C34 C35 C36 177.4(12) . . . . ?
C31 C34 C39 C38 -177.9(12) . . . . ?
C32 C31 C34 C35 34.4(18) . . . . ?
C32 C31 C34 C39 -145.2(12) . . . . ?
C33 C28 C29 C30 1.9(16) . . . . ?
C34 C31 C32 C33 -177.4(12) . . . . ?
C34 C35 C36 C37 1(2) . . . . ?
C35 C34 C39 C38 2.5(18) . . . . ?
C35 C36 C37 C38 2(2) . . . . ?
C36 C37 C38 C39 -2(2) . . . . ?
C37 C38 C39 C34 0(2) . . . . ?
C39 C34 C35 C36 -3.0(19) . . . . ?
C40 C41 C42 C43 178.1(10) . . . . ?
C40 C41 C46 C45 179.7(10) . . . . ?
C41 C42 C43 C44 3.3(17) . . . . ?
C42 C41 C46 C45 -2.1(16) . . . . ?
C42 C43 C44 C45 -4.0(17) . . . . ?
C42 C43 C44 C47 178.3(11) . . . . ?
C43 C44 C45 C46 1.8(17) . . . . ?
C43 C44 C47 C48 30.1(17) . . . . ?
C43 C44 C47 C52 -147.0(12) . . . . ?
C44 C45 C46 C41 1.3(17) . . . . ?
C44 C47 C48 C49 -177.3(12) . . . . ?
C44 C47 C52 C51 178.4(12) . . . . ?
C45 C44 C47 C48 -147.4(12) . . . . ?
C45 C44 C47 C52 35.5(17) . . . . ?
C46 C41 C42 C43 -0.2(16) . . . . ?
C47 C44 C45 C46 179.4(11) . . . . ?
C47 C48 C49 C50 1(2) . . . . ?
C48 C47 C52 C51 1.2(19) . . . . ?
C48 C49 C50 C51 -3(2) . . . . ?
C49 C50 C51 C52 4(2) . . . . ?
C50 C51 C52 C47 -3(2) . . . . ?
C52 C47 C48 C49 0(2) . . . . ?
C53 C54 C55 C56 -179.3(11) . . . . ?
C53 C54 C59 C58 176.4(11) . . . . ?
C54 C55 C56 C57 2(2) . . . . ?
C55 C54 C59 C58 -2.6(18) . . . . ?
C55 C56 C57 C58 -1.2(19) . . . . ?
C55 C56 C57 C60 -179.3(12) . . . . ?
C56 C57 C58 C59 -1.6(18) . . . . ?
C56 C57 C60 C61 53.8(16) . . . . ?
C56 C57 C60 C65 -127.5(14) . . . . ?
C57 C58 C59 C54 3.5(18) . . . . ?
C57 C60 C61 C62 177.4(11) . . . . ?
C57 C60 C65 C64 -176.3(11) . . . . ?
C58 C57 C60 C61 -124.2(13) . . . . ?
C58 C57 C60 C65 54.4(16) . . . . ?
C59 C54 C55 C56 -0.4(18) . . . . ?
C60 C57 C58 C59 176.6(11) . . . . ?
C60 C61 C62 C63 0(2) . . . . ?
C61 C60 C65 C64 2.3(19) . . . . ?
C61 C62 C63 C64 -1(2) . . . . ?
C62 C63 C64 C65 2(2) . . . . ?
C63 C64 C65 C60 -2(2) . . . . ?
C65 C60 C61 C62 -1.3(19) . . . . ?
C66 C67 C68 C69 175.6(12) . . . . ?
C66 C67 C72 C71 -173.0(13) . . . . ?
C67 C68 C69 C70 -1(2) . . . . ?
C68 C67 C72 C71 0(2) . . . . ?
C68 C69 C70 C71 -3(2) . . . . ?
C68 C69 C70 C73 -174.8(12) . . . . ?
C69 C70 C71 C72 5(2) . . . . ?
C69 C70 C73 C74 -163.3(14) . . . . ?
C69 C70 C73 C78 22(2) . . . . ?
C70 C71 C72 C67 -4(2) . . . . ?
C70 C73 C74 C75 -178.5(12) . . . . ?
C70 C73 C78 C77 178.3(15) . . . . ?
C71 C70 C73 C74 25(2) . . . . ?
C71 C70 C73 C78 -149.8(15) . . . . ?
C72 C67 C68 C69 2(2) . . . . ?
C73 C70 C71 C72 177.4(13) . . . . ?
C73 C74 C75 C76 -2(2) . . . . ?
C74 C73 C78 C77 3(2) . . . . ?
C74 C75 C76 C77 9(3) . . . . ?
C75 C76 C77 C78 -9(3) . . . . ?
C76 C77 C78 C73 3(3) . . . . ?
C78 C73 C74 C75 -4(2) . . . . ?
C79 N1 C83 C82 3.4(18) . . . . ?
C79 C80 C81 C82 -3(2) . . . . ?
C80 C81 C82 C83 2(2) . . . . ?
C81 C82 C83 N1 -2(2) . . . . ?
C83 N1 C79 C80 -4.3(17) . . . . ?
C83 N1 C79 C84 178.9(11) . . . . ?
C84 C79 C80 C81 -179.3(12) . . . . ?
C84 C79 C80 C85 -3(2) . . . . ?
C85 C80 C81 C82 -179.0(14) . . . . ?
C86 N2 C90 C89 -1.0(17) . . . . ?
C86 C87 C88 C89 1.3(19) . . . . ?
C87 C88 C89 C90 0(2) . . . . ?
C88 C89 C90 N2 0(2) . . . . ?
C90 N2 C86 C87 2.3(15) . . . . ?
C90 N2 C86 C91 177.9(10) . . . . ?
C91 C86 C87 C88 -178.0(11) . . . . ?
C91 C86 C87 C92 0.5(17) . . . . ?
C92 C87 C88 C89 -177.1(12) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Vapour deposition'
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_zn
_database_code_depnum_ccdc_archive 'CCDC 2047648'
loop_
_audit_author_name
_audit_author_address
'Stanislav Melnikov'
;NS Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
Russia
;
_audit_update_record             
;
2020-12-01 deposited with the CCDC.	2021-06-15 downloaded from the CCDC.
;
_vrf_PLAT201_zn                  
;
PROBLEM:  Isotropic non-H Atoms in Main Residue(s) .......          6 Report
              C6B       C7B       C8B       C9B       C10B                etc.            
RESPONSE: 
           Caused by refinement of disordered phenyl ring in isotropic mode
;
_audit_creation_date             2020-09-11
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C98 H70 Eu N5 O15 Zn2, 2(C2 H3 N)'
_chemical_formula_sum            'C102 H76 Eu N7 O15 Zn2'
_chemical_formula_weight         1922.39
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   30.502(2)
_cell_length_b                   14.3818(11)
_cell_length_c                   20.1905(16)
_cell_angle_alpha                90
_cell_angle_beta                 100.1210(10)
_cell_angle_gamma                90
_cell_volume                     8719.2(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3950
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      22.69
_cell_measurement_theta_min      2.54
_shelx_estimated_absorpt_T_max   0.890
_shelx_estimated_absorpt_T_min   0.661
_exptl_absorpt_coefficient_mu    1.329
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6318
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0625 before and 0.0485 after correction.
The Ratio of minimum to maximum transmission is 0.8474.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.464
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3920
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.09
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0488
_diffrn_reflns_av_unetI/netI     0.0655
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.968
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            24100
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.553
_diffrn_reflns_theta_min         2.250
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7558
_reflns_number_total             9764
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         1.163
_refine_diff_density_min         -0.501
_refine_diff_density_rms         0.105
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     564
_refine_ls_number_reflns         9764
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0707
_refine_ls_R_factor_gt           0.0507
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0604P)²+20.2907P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1204
_refine_ls_wR_factor_ref         0.1311
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C1SA-N1SA
 2.7 with sigma of 0.02
3. Others
 Sof(C6B)=Sof(C7B)=Sof(H7B)=Sof(C8B)=Sof(H8B)=Sof(C9B)=Sof(H9B)=Sof(C10B)=
 Sof(H10B)=Sof(C11B)=Sof(H11B)=1-FVAR(1)
 Sof(C6A)=Sof(C7A)=Sof(H7A)=Sof(C8A)=Sof(H8A)=Sof(C9A)=Sof(H9A)=Sof(C10A)=
 Sof(H10A)=Sof(C11A)=Sof(H11A)=FVAR(1)
 Sof(N1S)=Sof(C2S)=Sof(C1S)=Sof(H1SA)=Sof(H1SB)=Sof(H1SC)=1-FVAR(2)
 Sof(C2SA)=Sof(N1SA)=Sof(C1SA)=Sof(H1SD)=Sof(H1SE)=Sof(H1SF)=FVAR(2)
 Fixed U12: Eu1(0) O8(0) N3(0)
 Fixed U23: Eu1(0) O8(0) N3(0)
 Fixed X: Eu1(0) O8(0) N3(0)
 Fixed Z: Eu1(0.25) O8(0.25) N3(0.25)
4.a Riding coordinates:
 C1S(H1SA,H1SB,H1SC), C1SA(H1SD,H1SE,H1SF)
4.b Free rotating group:
 N1S(C2S,C1S)
4.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C7B(H7B), C8B(H8B), C9B(H9B), C10B(H10B), C11B(H11B),
 C12(H12), C13(H13), C16(H16), C17(H17), C20(H20), C21(H21), C22(H22), C23(H23),
  C24(H24), C25(H25), C26(H26), C29(H29), C30(H30), C33(H33), C34(H34),
 C35(H35), C36(H36), C37(H37), C38(H38), C39(H39), C40(H40), C41(H41), C42(H42),
  C43(H43), C46(H46), C47(H47), C48(H48), C49(H49), C7A(H7A), C8A(H8A),
 C9A(H9A), C10A(H10A), C11A(H11A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.0000 0.23587(2) 0.2500 0.02366(9) Uani 1 2 d S T P . .
Zn1 Zn 0.00052(2) 0.20664(3) 0.44404(3) 0.02793(13) Uani 1 1 d . . . . .
O1 O 0.03291(10) 0.1039(2) 0.31108(17) 0.0406(8) Uani 1 1 d . . . . .
O2 O 0.02695(10) 0.0871(2) 0.41873(16) 0.0354(7) Uani 1 1 d . . . . .
O3 O -0.04952(9) 0.2188(2) 0.32478(17) 0.0366(7) Uani 1 1 d . . . . .
O4 O -0.06312(9) 0.1534(2) 0.41712(16) 0.0379(7) Uani 1 1 d . . . . .
O5 O 0.05926(11) 0.2911(3) 0.32815(19) 0.0496(9) Uani 1 1 d . . . . .
O6 O 0.05665(10) 0.2803(2) 0.43686(18) 0.0401(8) Uani 1 1 d . . . . .
O7 O 0.02092(13) 0.4006(2) 0.21276(18) 0.0520(9) Uani 1 1 d . . . . .
O8 O 0.0000 0.5313(4) 0.2500 0.078(2) Uani 1 2 d S T P . .
N1 N -0.02678(11) 0.3287(3) 0.4815(2) 0.0350(9) Uani 1 1 d . . . . .
N2 N 0.01505(11) 0.1852(3) 0.54811(19) 0.0303(8) Uani 1 1 d . . . . .
N3 N 0.0000 0.4454(4) 0.2500 0.0521(16) Uani 1 2 d S T P . .
C1 C 0.04106(12) 0.0629(3) 0.3663(2) 0.0279(9) Uani 1 1 d . . . . .
C2 C 0.07108(12) -0.0203(3) 0.3733(2) 0.0284(9) Uani 1 1 d . . . . .
C3 C 0.09602(14) -0.0425(3) 0.3241(3) 0.0367(10) Uani 1 1 d . . . . .
H3 H 0.0925 -0.0072 0.2837 0.044 Uiso 1 1 calc R U . . .
C4 C 0.12596(17) -0.1156(4) 0.3334(3) 0.0504(14) Uani 1 1 d . . . . .
H4 H 0.1427 -0.1302 0.2992 0.061 Uiso 1 1 calc R U . . .
C5 C 0.13190(17) -0.1682(4) 0.3927(3) 0.0522(15) Uani 1 1 d . . . . .
C6B C 0.1618(3) -0.2509(7) 0.3937(6) 0.044(2) Uiso 0.542(9) 1 d . . P A 2
C7B C 0.1999(4) -0.2483(10) 0.3690(8) 0.075(4) Uiso 0.542(9) 1 d . . P A 2
H7B H 0.2060 -0.1955 0.3438 0.090 Uiso 0.542(9) 1 calc R U P A 2
C8B C 0.2314(5) -0.3226(11) 0.3794(8) 0.093(5) Uiso 0.542(9) 1 d . . P A 2
H8B H 0.2583 -0.3182 0.3620 0.112 Uiso 0.542(9) 1 calc R U P A 2
C9B C 0.2233(5) -0.3968(11) 0.4128(8) 0.081(4) Uiso 0.542(9) 1 d . . P A 2
H9B H 0.2452 -0.4444 0.4210 0.097 Uiso 0.542(9) 1 calc R U P A 2
C10B C 0.1823(5) -0.4079(12) 0.4371(9) 0.088(4) Uiso 0.542(9) 1 d . . P A 2
H10B H 0.1754 -0.4639 0.4580 0.105 Uiso 0.542(9) 1 calc R U P A 2
C11B C 0.1525(5) -0.3321(9) 0.4288(7) 0.063(3) Uiso 0.542(9) 1 d . . P A 2
H11B H 0.1259 -0.3354 0.4469 0.076 Uiso 0.542(9) 1 calc R U P A 2
C12 C 0.10630(15) -0.1466(3) 0.4402(3) 0.0428(12) Uani 1 1 d . . . . .
H12 H 0.1092 -0.1830 0.4800 0.051 Uiso 1 1 calc R U . . .
C13 C 0.07668(14) -0.0738(3) 0.4318(2) 0.0341(10) Uani 1 1 d . . . . .
H13 H 0.0599 -0.0599 0.4660 0.041 Uiso 1 1 calc R U . . .
C14 C -0.07448(13) 0.1721(3) 0.3561(2) 0.0309(9) Uani 1 1 d . . . . .
C15 C -0.11914(14) 0.1388(3) 0.3195(2) 0.0350(10) Uani 1 1 d . . . . .
C16 C -0.13408(14) 0.1589(3) 0.2530(2) 0.0369(10) Uani 1 1 d . . . . .
H16 H -0.1164 0.1967 0.2294 0.044 Uiso 1 1 calc R U . . .
C17 C -0.17435(15) 0.1251(4) 0.2197(3) 0.0460(12) Uani 1 1 d . . . . .
H17 H -0.1853 0.1449 0.1750 0.055 Uiso 1 1 calc R U . . .
C18 C -0.19894(16) 0.0632(4) 0.2503(3) 0.0541(14) Uani 1 1 d . . . . .
C19 C -0.24021(18) 0.0165(4) 0.2125(3) 0.0554(14) Uani 1 1 d . . . . .
C20 C -0.27045(18) 0.0618(5) 0.1677(3) 0.0665(17) Uani 1 1 d . . . . .
H20 H -0.2654 0.1252 0.1583 0.080 Uiso 1 1 calc R U . . .
C21 C -0.3092(2) 0.0188(6) 0.1344(4) 0.083(2) Uani 1 1 d . . . . .
H21 H -0.3304 0.0538 0.1044 0.100 Uiso 1 1 calc R U . . .
C22 C -0.3166(2) -0.0718(6) 0.1445(4) 0.084(2) Uani 1 1 d . . . . .
H22 H -0.3419 -0.1021 0.1194 0.101 Uiso 1 1 calc R U . . .
C23 C -0.2871(2) -0.1202(6) 0.1919(4) 0.081(2) Uani 1 1 d . . . . .
H23 H -0.2928 -0.1830 0.2021 0.098 Uiso 1 1 calc R U . . .
C24 C -0.2489(2) -0.0758(5) 0.2245(4) 0.0689(18) Uani 1 1 d . . . . .
H24 H -0.2281 -0.1098 0.2560 0.083 Uiso 1 1 calc R U . . .
C25 C -0.18350(18) 0.0413(4) 0.3170(3) 0.0599(16) Uani 1 1 d . . . . .
H25 H -0.2001 -0.0006 0.3393 0.072 Uiso 1 1 calc R U . . .
C26 C -0.14439(17) 0.0792(5) 0.3520(3) 0.0601(16) Uani 1 1 d . . . . .
H26 H -0.1349 0.0645 0.3982 0.072 Uiso 1 1 calc R U . . .
C27 C 0.07604(14) 0.2970(3) 0.3892(3) 0.0341(10) Uani 1 1 d . . . . .
C28 C 0.12409(13) 0.3254(3) 0.4054(2) 0.0332(10) Uani 1 1 d . . . . .
C29 C 0.14718(15) 0.3488(4) 0.3541(3) 0.0443(12) Uani 1 1 d . . . . .
H29 H 0.1319 0.3529 0.3089 0.053 Uiso 1 1 calc R U . . .
C30 C 0.19261(16) 0.3661(4) 0.3690(3) 0.0507(14) Uani 1 1 d . . . . .
H30 H 0.2080 0.3824 0.3336 0.061 Uiso 1 1 calc R U . . .
C31 C 0.21604(15) 0.3603(4) 0.4340(3) 0.0475(13) Uani 1 1 d . . . . .
C32 C 0.26524(16) 0.3734(4) 0.4513(3) 0.0548(15) Uani 1 1 d . . . . .
C33 C 0.29245(18) 0.3423(5) 0.4076(4) 0.0662(17) Uani 1 1 d . . . . .
H33 H 0.2798 0.3127 0.3667 0.079 Uiso 1 1 calc R U . . .
C34 C 0.33878(19) 0.3547(5) 0.4241(4) 0.074(2) Uani 1 1 d . . . . .
H34 H 0.3573 0.3337 0.3940 0.089 Uiso 1 1 calc R U . . .
C35 C 0.35721(18) 0.3962(5) 0.4827(4) 0.0702(19) Uani 1 1 d . . . . .
H35 H 0.3886 0.4032 0.4939 0.084 Uiso 1 1 calc R U . . .
C36 C 0.33088(17) 0.4278(4) 0.5251(4) 0.0640(18) Uani 1 1 d . . . . .
H36 H 0.3438 0.4581 0.5656 0.077 Uiso 1 1 calc R U . . .
C37 C 0.28507(17) 0.4163(4) 0.5097(3) 0.0584(16) Uani 1 1 d . . . . .
H37 H 0.2670 0.4386 0.5402 0.070 Uiso 1 1 calc R U . . .
C38 C 0.19210(15) 0.3416(4) 0.4846(3) 0.0487(13) Uani 1 1 d . . . . .
H38 H 0.2071 0.3406 0.5300 0.058 Uiso 1 1 calc R U . . .
C39 C 0.14665(14) 0.3242(4) 0.4704(3) 0.0416(11) Uani 1 1 d . . . . .
H39 H 0.1310 0.3114 0.5061 0.050 Uiso 1 1 calc R U . . .
C40 C -0.04799(16) 0.3975(3) 0.4445(3) 0.0451(12) Uani 1 1 d . . . . .
H40 H -0.0530 0.3922 0.3969 0.054 Uiso 1 1 calc R U . . .
C41 C -0.06284(18) 0.4759(4) 0.4730(3) 0.0542(14) Uani 1 1 d . . . . .
H41 H -0.0782 0.5236 0.4457 0.065 Uiso 1 1 calc R U . . .
C42 C -0.0549(2) 0.4831(4) 0.5414(4) 0.0655(18) Uani 1 1 d . . . . .
H42 H -0.0648 0.5365 0.5622 0.079 Uiso 1 1 calc R U . . .
C43 C -0.03266(19) 0.4134(4) 0.5807(3) 0.0555(15) Uani 1 1 d . . . . .
H43 H -0.0269 0.4183 0.6284 0.067 Uiso 1 1 calc R U . . .
C44 C -0.01892(15) 0.3363(3) 0.5489(3) 0.0391(11) Uani 1 1 d . . . . .
C45 C 0.00448(16) 0.2561(3) 0.5861(2) 0.0404(11) Uani 1 1 d . . . . .
C46 C 0.0149(3) 0.2522(5) 0.6555(3) 0.075(2) Uani 1 1 d . . . . .
H46 H 0.0082 0.3030 0.6820 0.090 Uiso 1 1 calc R U . . .
C47 C 0.0354(3) 0.1729(5) 0.6860(3) 0.085(2) Uani 1 1 d . . . . .
H47 H 0.0423 0.1689 0.7337 0.101 Uiso 1 1 calc R U . . .
C48 C 0.04548(19) 0.1015(4) 0.6476(3) 0.0561(15) Uani 1 1 d . . . . .
H48 H 0.0596 0.0469 0.6676 0.067 Uiso 1 1 calc R U . . .
C49 C 0.03460(14) 0.1101(3) 0.5785(2) 0.0359(10) Uani 1 1 d . . . . .
H49 H 0.0414 0.0600 0.5514 0.043 Uiso 1 1 calc R U . . .
C6A C 0.1727(4) -0.2323(9) 0.4209(7) 0.042(3) Uiso 0.458(9) 1 d . . P A 1
C7A C 0.2136(5) -0.2118(12) 0.4105(9) 0.077(5) Uiso 0.458(9) 1 d . . P A 1
H7A H 0.2195 -0.1552 0.3894 0.092 Uiso 0.458(9) 1 calc R U P A 1
C8A C 0.2489(8) -0.2789(16) 0.4323(13) 0.116(7) Uiso 0.458(9) 1 d . . P A 1
H8A H 0.2787 -0.2651 0.4280 0.139 Uiso 0.458(9) 1 calc R U P A 1
C9A C 0.2394(7) -0.3575(15) 0.4577(11) 0.100(6) Uiso 0.458(9) 1 d . . P A 1
H9A H 0.2629 -0.4005 0.4713 0.119 Uiso 0.458(9) 1 calc R U P A 1
C10A C 0.1988(5) -0.3811(10) 0.4658(8) 0.057(3) Uiso 0.458(9) 1 d . . P A 1
H10A H 0.1927 -0.4412 0.4814 0.068 Uiso 0.458(9) 1 calc R U P A 1
C11A C 0.1652(4) -0.3147(9) 0.4507(7) 0.045(3) Uiso 0.458(9) 1 d . . P A 1
H11A H 0.1366 -0.3270 0.4613 0.054 Uiso 0.458(9) 1 calc R U P A 1
N1S N 0.1090(6) 0.3278(13) 0.6519(9) 0.196(11) Uiso 0.549(13) 1 d G . P B 2
C2S C 0.1099(4) 0.3758(10) 0.6974(8) 0.163(10) Uiso 0.549(13) 1 d G . P B 2
C1S C 0.1135(6) 0.4407(12) 0.7602(9) 0.119(7) Uiso 0.549(13) 1 d G . P B 2
H1SA H 0.1211 0.5038 0.7479 0.179 Uiso 0.549(13) 1 d R U P B 2
H1SB H 0.1367 0.4172 0.7961 0.179 Uiso 0.549(13) 1 d R U P B 2
H1SC H 0.0849 0.4417 0.7759 0.179 Uiso 0.549(13) 1 d R U P B 2
C2SA C 0.1475(9) 0.336(2) 0.7394(15) 0.134(10) Uiso 0.451(13) 1 d . . P B 1
N1SA N 0.1520(9) 0.2619(17) 0.7087(15) 0.174(12) Uiso 0.451(13) 1 d D . P B 1
C1SA C 0.1485(12) 0.423(2) 0.7703(17) 0.180(14) Uiso 0.451(13) 1 d D . P B 1
H1SD H 0.1427 0.4722 0.7361 0.270 Uiso 0.451(13) 1 d R U P B 1
H1SE H 0.1777 0.4336 0.7985 0.270 Uiso 0.451(13) 1 d R U P B 1
H1SF H 0.1254 0.4246 0.7984 0.270 Uiso 0.451(13) 1 d R U P B 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O1 2.387(3) 2 ?
Eu1 O1 2.387(3) . ?
Eu1 O3 2.329(3) . ?
Eu1 O3 2.329(3) 2 ?
Eu1 O5 2.320(3) . ?
Eu1 O5 2.320(3) 2 ?
Eu1 O7 2.599(4) . ?
Eu1 O7 2.599(4) 2 ?
Eu1 N3 3.013(6) . ?
Zn1 O2 2.003(3) . ?
Zn1 O4 2.069(3) . ?
Zn1 O6 2.040(3) . ?
Zn1 N1 2.137(4) . ?
Zn1 N2 2.093(4) . ?
O1 C1 1.247(5) . ?
O2 C1 1.260(5) . ?
O3 C14 1.264(5) . ?
O4 C14 1.250(5) . ?
O5 C27 1.251(6) . ?
O6 C27 1.239(6) . ?
O7 N3 1.247(5) . ?
O8 N3 1.236(8) . ?
N1 C40 1.337(6) . ?
N1 C44 1.344(6) . ?
N2 C45 1.349(6) . ?
N2 C49 1.330(6) . ?
N3 O7 1.247(5) 2 ?
C1 C2 1.499(5) . ?
C2 C3 1.390(6) . ?
C2 C13 1.395(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.383(6) . ?
C4 H4 0.9500 . ?
C4 C5 1.401(8) . ?
C5 C6B 1.497(11) . ?
C5 C12 1.375(7) . ?
C5 C6A 1.573(13) . ?
C6B C7B 1.343(16) . ?
C6B C11B 1.419(16) . ?
C7B H7B 0.9500 . ?
C7B C8B 1.429(19) . ?
C8B H8B 0.9500 . ?
C8B C9B 1.307(19) . ?
C9B H9B 0.9500 . ?
C9B C10B 1.432(19) . ?
C10B H10B 0.9500 . ?
C10B C11B 1.409(19) . ?
C11B H11B 0.9500 . ?
C12 H12 0.9500 . ?
C12 C13 1.373(6) . ?
C13 H13 0.9500 . ?
C14 C15 1.509(6) . ?
C15 C16 1.371(6) . ?
C15 C26 1.391(7) . ?
C16 H16 0.9500 . ?
C16 C17 1.380(6) . ?
C17 H17 0.9500 . ?
C17 C18 1.377(7) . ?
C18 C19 1.510(7) . ?
C18 C25 1.383(8) . ?
C19 C20 1.341(8) . ?
C19 C24 1.384(9) . ?
C20 H20 0.9500 . ?
C20 C21 1.396(8) . ?
C21 H21 0.9500 . ?
C21 C22 1.344(10) . ?
C22 H22 0.9500 . ?
C22 C23 1.381(10) . ?
C23 H23 0.9500 . ?
C23 C24 1.389(8) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C25 C26 1.387(7) . ?
C26 H26 0.9500 . ?
C27 C28 1.501(5) . ?
C28 C29 1.393(7) . ?
C28 C39 1.371(7) . ?
C29 H29 0.9500 . ?
C29 C30 1.388(6) . ?
C30 H30 0.9500 . ?
C30 C31 1.382(8) . ?
C31 C32 1.492(6) . ?
C31 C38 1.383(8) . ?
C32 C33 1.386(8) . ?
C32 C37 1.375(8) . ?
C33 H33 0.9500 . ?
C33 C34 1.405(8) . ?
C34 H34 0.9500 . ?
C34 C35 1.355(10) . ?
C35 H35 0.9500 . ?
C35 C36 1.351(9) . ?
C36 H36 0.9500 . ?
C36 C37 1.387(7) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C38 C39 1.388(6) . ?
C39 H39 0.9500 . ?
C40 H40 0.9500 . ?
C40 C41 1.377(7) . ?
C41 H41 0.9500 . ?
C41 C42 1.364(9) . ?
C42 H42 0.9500 . ?
C42 C43 1.381(8) . ?
C43 H43 0.9500 . ?
C43 C44 1.383(7) . ?
C44 C45 1.489(7) . ?
C45 C46 1.382(8) . ?
C46 H46 0.9500 . ?
C46 C47 1.391(9) . ?
C47 H47 0.9500 . ?
C47 C48 1.355(8) . ?
C48 H48 0.9500 . ?
C48 C49 1.382(7) . ?
C49 H49 0.9500 . ?
C6A C7A 1.334(19) . ?
C6A C11A 1.366(17) . ?
C7A H7A 0.9500 . ?
C7A C8A 1.46(3) . ?
C8A H8A 0.9500 . ?
C8A C9A 1.29(3) . ?
C9A H9A 0.9500 . ?
C9A C10A 1.32(2) . ?
C10A H10A 0.9500 . ?
C10A C11A 1.394(18) . ?
C11A H11A 0.9500 . ?
N1S C2S 1.1466 . ?
C2S C1S 1.5608 . ?
C1S H1SA 0.9800 . ?
C1S H1SB 0.9802 . ?
C1S H1SC 0.9798 . ?
C2SA N1SA 1.25(3) . ?
C2SA C1SA 1.40(3) . ?
C1SA H1SD 0.9801 . ?
C1SA H1SE 0.9801 . ?
C1SA H1SF 0.9799 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Eu1 O1 74.63(17) . 2 ?
O1 Eu1 O7 140.55(12) 2 2 ?
O1 Eu1 O7 132.68(12) 2 . ?
O1 Eu1 O7 132.68(12) . 2 ?
O1 Eu1 O7 140.55(12) . . ?
O1 Eu1 N3 142.69(8) 2 . ?
O1 Eu1 N3 142.69(8) . . ?
O3 Eu1 O1 80.96(11) . . ?
O3 Eu1 O1 80.96(11) 2 2 ?
O3 Eu1 O1 89.38(11) 2 . ?
O3 Eu1 O1 89.38(11) . 2 ?
O3 Eu1 O3 167.88(16) . 2 ?
O3 Eu1 O7 120.27(11) 2 2 ?
O3 Eu1 O7 71.85(11) . 2 ?
O3 Eu1 O7 71.85(11) 2 . ?
O3 Eu1 O7 120.27(11) . . ?
O3 Eu1 N3 96.06(8) . . ?
O3 Eu1 N3 96.06(8) 2 . ?
O5 Eu1 O1 73.39(13) 2 2 ?
O5 Eu1 O1 146.10(13) . 2 ?
O5 Eu1 O1 73.39(13) . . ?
O5 Eu1 O1 146.10(13) 2 . ?
O5 Eu1 O3 87.74(12) . 2 ?
O5 Eu1 O3 96.41(12) 2 2 ?
O5 Eu1 O3 87.74(12) 2 . ?
O5 Eu1 O3 96.41(12) . . ?
O5 Eu1 O5 140.00(19) 2 . ?
O5 Eu1 O7 72.12(13) . 2 ?
O5 Eu1 O7 71.55(13) . . ?
O5 Eu1 O7 72.12(13) 2 . ?
O5 Eu1 O7 71.54(13) 2 2 ?
O5 Eu1 N3 70.00(9) 2 . ?
O5 Eu1 N3 70.00(9) . . ?
O7 Eu1 O7 48.54(16) . 2 ?
O7 Eu1 N3 24.27(8) . . ?
O7 Eu1 N3 24.27(8) 2 . ?
O2 Zn1 O4 90.93(13) . . ?
O2 Zn1 O6 92.69(13) . . ?
O2 Zn1 N1 174.02(14) . . ?
O2 Zn1 N2 96.07(13) . . ?
O4 Zn1 N1 89.51(13) . . ?
O4 Zn1 N2 103.45(13) . . ?
O6 Zn1 O4 159.09(14) . . ?
O6 Zn1 N1 89.02(13) . . ?
O6 Zn1 N2 96.64(14) . . ?
N2 Zn1 N1 78.04(14) . . ?
C1 O1 Eu1 146.9(3) . . ?
C1 O2 Zn1 131.6(3) . . ?
C14 O3 Eu1 153.7(3) . . ?
C14 O4 Zn1 105.3(3) . . ?
C27 O5 Eu1 145.9(3) . . ?
C27 O6 Zn1 132.6(3) . . ?
N3 O7 Eu1 96.8(3) . . ?
C40 N1 Zn1 126.2(3) . . ?
C40 N1 C44 119.2(4) . . ?
C44 N1 Zn1 114.5(3) . . ?
C45 N2 Zn1 115.4(3) . . ?
C49 N2 Zn1 125.6(3) . . ?
C49 N2 C45 119.0(4) . . ?
O7 N3 Eu1 58.9(3) 2 . ?
O7 N3 Eu1 58.9(3) . . ?
O7 N3 O7 117.8(6) 2 . ?
O8 N3 Eu1 180.0 . . ?
O8 N3 O7 121.1(3) . . ?
O8 N3 O7 121.1(3) . 2 ?
O1 C1 O2 125.2(4) . . ?
O1 C1 C2 118.9(4) . . ?
O2 C1 C2 115.8(4) . . ?
C3 C2 C1 121.2(4) . . ?
C3 C2 C13 118.5(4) . . ?
C13 C2 C1 120.1(4) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 C2 120.6(5) . . ?
C4 C3 H3 119.7 . . ?
C3 C4 H4 119.7 . . ?
C3 C4 C5 120.6(5) . . ?
C5 C4 H4 119.7 . . ?
C4 C5 C6B 115.3(6) . . ?
C4 C5 C6A 127.0(6) . . ?
C12 C5 C4 118.1(4) . . ?
C12 C5 C6B 126.1(6) . . ?
C12 C5 C6A 113.0(7) . . ?
C7B C6B C5 122.5(10) . . ?
C7B C6B C11B 118.0(11) . . ?
C11B C6B C5 119.1(9) . . ?
C6B C7B H7B 119.1 . . ?
C6B C7B C8B 121.8(13) . . ?
C8B C7B H7B 119.1 . . ?
C7B C8B H8B 119.9 . . ?
C9B C8B C7B 120.3(15) . . ?
C9B C8B H8B 119.9 . . ?
C8B C9B H9B 119.3 . . ?
C8B C9B C10B 121.5(15) . . ?
C10B C9B H9B 119.3 . . ?
C9B C10B H10B 121.4 . . ?
C11B C10B C9B 117.2(14) . . ?
C11B C10B H10B 121.4 . . ?
C6B C11B H11B 119.5 . . ?
C10B C11B C6B 121.0(12) . . ?
C10B C11B H11B 119.5 . . ?
C5 C12 H12 119.1 . . ?
C13 C12 C5 121.9(5) . . ?
C13 C12 H12 119.1 . . ?
C2 C13 H13 119.8 . . ?
C12 C13 C2 120.3(4) . . ?
C12 C13 H13 119.8 . . ?
O3 C14 C15 119.7(4) . . ?
O4 C14 O3 121.4(4) . . ?
O4 C14 C15 119.0(4) . . ?
C16 C15 C14 121.9(4) . . ?
C16 C15 C26 118.4(4) . . ?
C26 C15 C14 119.4(4) . . ?
C15 C16 H16 119.5 . . ?
C15 C16 C17 121.1(4) . . ?
C17 C16 H16 119.5 . . ?
C16 C17 H17 119.4 . . ?
C18 C17 C16 121.2(5) . . ?
C18 C17 H17 119.4 . . ?
C17 C18 C19 122.2(5) . . ?
C17 C18 C25 117.7(5) . . ?
C25 C18 C19 120.1(5) . . ?
C20 C19 C18 122.6(6) . . ?
C20 C19 C24 117.0(6) . . ?
C24 C19 C18 120.4(6) . . ?
C19 C20 H20 118.9 . . ?
C19 C20 C21 122.2(7) . . ?
C21 C20 H20 118.9 . . ?
C20 C21 H21 119.7 . . ?
C22 C21 C20 120.5(7) . . ?
C22 C21 H21 119.7 . . ?
C21 C22 H22 120.5 . . ?
C21 C22 C23 119.1(7) . . ?
C23 C22 H22 120.5 . . ?
C22 C23 H23 120.4 . . ?
C22 C23 C24 119.2(7) . . ?
C24 C23 H23 120.4 . . ?
C19 C24 C23 121.9(7) . . ?
C19 C24 H24 119.1 . . ?
C23 C24 H24 119.1 . . ?
C18 C25 H25 119.2 . . ?
C18 C25 C26 121.5(5) . . ?
C26 C25 H25 119.2 . . ?
C15 C26 H26 120.1 . . ?
C25 C26 C15 119.9(5) . . ?
C25 C26 H26 120.1 . . ?
O5 C27 C28 116.7(4) . . ?
O6 C27 O5 125.7(4) . . ?
O6 C27 C28 117.6(4) . . ?
C29 C28 C27 120.3(4) . . ?
C39 C28 C27 120.8(4) . . ?
C39 C28 C29 118.8(4) . . ?
C28 C29 H29 120.1 . . ?
C30 C29 C28 119.9(5) . . ?
C30 C29 H29 120.1 . . ?
C29 C30 H30 119.2 . . ?
C31 C30 C29 121.7(5) . . ?
C31 C30 H30 119.2 . . ?
C30 C31 C32 123.1(5) . . ?
C30 C31 C38 117.5(4) . . ?
C38 C31 C32 119.4(5) . . ?
C33 C32 C31 120.0(5) . . ?
C37 C32 C31 122.0(5) . . ?
C37 C32 C33 117.9(5) . . ?
C32 C33 H33 120.1 . . ?
C32 C33 C34 119.9(6) . . ?
C34 C33 H33 120.1 . . ?
C33 C34 H34 119.7 . . ?
C35 C34 C33 120.5(7) . . ?
C35 C34 H34 119.7 . . ?
C34 C35 H35 120.0 . . ?
C36 C35 C34 119.9(5) . . ?
C36 C35 H35 120.0 . . ?
C35 C36 H36 119.8 . . ?
C35 C36 C37 120.4(6) . . ?
C37 C36 H36 119.8 . . ?
C32 C37 C36 121.3(6) . . ?
C32 C37 H37 119.4 . . ?
C36 C37 H37 119.4 . . ?
C31 C38 H38 119.3 . . ?
C31 C38 C39 121.4(5) . . ?
C39 C38 H38 119.3 . . ?
C28 C39 C38 120.7(5) . . ?
C28 C39 H39 119.7 . . ?
C38 C39 H39 119.7 . . ?
N1 C40 H40 118.8 . . ?
N1 C40 C41 122.4(5) . . ?
C41 C40 H40 118.8 . . ?
C40 C41 H41 120.9 . . ?
C42 C41 C40 118.2(5) . . ?
C42 C41 H41 120.9 . . ?
C41 C42 H42 119.7 . . ?
C41 C42 C43 120.5(5) . . ?
C43 C42 H42 119.7 . . ?
C42 C43 H43 120.9 . . ?
C42 C43 C44 118.3(6) . . ?
C44 C43 H43 120.9 . . ?
N1 C44 C43 121.4(5) . . ?
N1 C44 C45 115.5(4) . . ?
C43 C44 C45 123.0(5) . . ?
N2 C45 C44 116.2(4) . . ?
N2 C45 C46 120.7(5) . . ?
C46 C45 C44 123.1(5) . . ?
C45 C46 H46 120.4 . . ?
C45 C46 C47 119.2(5) . . ?
C47 C46 H46 120.4 . . ?
C46 C47 H47 120.1 . . ?
C48 C47 C46 119.9(5) . . ?
C48 C47 H47 120.1 . . ?
C47 C48 H48 120.9 . . ?
C47 C48 C49 118.1(5) . . ?
C49 C48 H48 120.9 . . ?
N2 C49 C48 123.2(5) . . ?
N2 C49 H49 118.4 . . ?
C48 C49 H49 118.4 . . ?
C7A C6A C5 121.0(12) . . ?
C7A C6A C11A 119.7(13) . . ?
C11A C6A C5 119.0(10) . . ?
C6A C7A H7A 121.1 . . ?
C6A C7A C8A 117.9(17) . . ?
C8A C7A H7A 121.0 . . ?
C7A C8A H8A 120.2 . . ?
C9A C8A C7A 120(2) . . ?
C9A C8A H8A 120.2 . . ?
C8A C9A H9A 118.3 . . ?
C8A C9A C10A 123(2) . . ?
C10A C9A H9A 118.3 . . ?
C9A C10A H10A 121.1 . . ?
C9A C10A C11A 117.8(15) . . ?
C11A C10A H10A 121.1 . . ?
C6A C11A C10A 121.1(12) . . ?
C6A C11A H11A 119.4 . . ?
C10A C11A H11A 119.4 . . ?
N1S C2S C1S 177.3 . . ?
C2S C1S H1SA 109.5 . . ?
C2S C1S H1SB 109.5 . . ?
C2S C1S H1SC 109.5 . . ?
H1SA C1S H1SB 109.5 . . ?
H1SA C1S H1SC 109.5 . . ?
H1SB C1S H1SC 109.5 . . ?
N1SA C2SA C1SA 171(3) . . ?
C2SA C1SA H1SD 110.2 . . ?
C2SA C1SA H1SE 110.0 . . ?
C2SA C1SA H1SF 108.2 . . ?
H1SD C1SA H1SE 109.5 . . ?
H1SD C1SA H1SF 109.5 . . ?
H1SE C1SA H1SF 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 O1 C1 O2 6.4(8) . . . . ?
Eu1 O1 C1 C2 -171.6(3) . . . . ?
Eu1 O3 C14 O4 104.8(7) . . . . ?
Eu1 O3 C14 C15 -75.7(7) . . . . ?
Eu1 O5 C27 O6 -13.9(9) . . . . ?
Eu1 O5 C27 C28 165.0(4) . . . . ?
Eu1 O7 N3 O7 -0.005(2) . . . 2 ?
Eu1 O7 N3 O8 180.000(1) . . . . ?
Zn1 O2 C1 O1 -16.3(6) . . . . ?
Zn1 O2 C1 C2 161.8(3) . . . . ?
Zn1 O4 C14 O3 -3.1(5) . . . . ?
Zn1 O4 C14 C15 177.4(3) . . . . ?
Zn1 O6 C27 O5 19.3(7) . . . . ?
Zn1 O6 C27 C28 -159.6(3) . . . . ?
Zn1 N1 C40 C41 -177.1(4) . . . . ?
Zn1 N1 C44 C43 177.0(4) . . . . ?
Zn1 N1 C44 C45 -4.1(5) . . . . ?
Zn1 N2 C45 C44 4.3(5) . . . . ?
Zn1 N2 C45 C46 -176.1(5) . . . . ?
Zn1 N2 C49 C48 176.6(4) . . . . ?
O1 C1 C2 C3 11.6(6) . . . . ?
O1 C1 C2 C13 -172.6(4) . . . . ?
O2 C1 C2 C3 -166.5(4) . . . . ?
O2 C1 C2 C13 9.3(6) . . . . ?
O3 C14 C15 C16 -1.1(7) . . . . ?
O3 C14 C15 C26 173.2(5) . . . . ?
O4 C14 C15 C16 178.4(4) . . . . ?
O4 C14 C15 C26 -7.3(7) . . . . ?
O5 C27 C28 C29 3.6(6) . . . . ?
O5 C27 C28 C39 -173.0(4) . . . . ?
O6 C27 C28 C29 -177.4(4) . . . . ?
O6 C27 C28 C39 6.0(6) . . . . ?
N1 C40 C41 C42 0.8(8) . . . . ?
N1 C44 C45 N2 -0.1(6) . . . . ?
N1 C44 C45 C46 -179.6(6) . . . . ?
N2 C45 C46 C47 -1.8(11) . . . . ?
C1 C2 C3 C4 175.3(4) . . . . ?
C1 C2 C13 C12 -175.8(4) . . . . ?
C2 C3 C4 C5 -0.4(8) . . . . ?
C3 C2 C13 C12 0.1(6) . . . . ?
C3 C4 C5 C6B 174.2(6) . . . . ?
C3 C4 C5 C12 1.7(8) . . . . ?
C3 C4 C5 C6A -160.9(8) . . . . ?
C4 C5 C6B C7B 41.3(14) . . . . ?
C4 C5 C6B C11B -146.1(10) . . . . ?
C4 C5 C12 C13 -2.2(8) . . . . ?
C4 C5 C6A C7A 32.1(17) . . . . ?
C4 C5 C6A C11A -141.4(10) . . . . ?
C5 C6B C7B C8B 170.2(12) . . . . ?
C5 C6B C11B C10B -173.2(12) . . . . ?
C5 C12 C13 C2 1.3(8) . . . . ?
C5 C6A C7A C8A -174.2(15) . . . . ?
C5 C6A C11A C10A 168.7(12) . . . . ?
C6B C5 C12 C13 -173.7(7) . . . . ?
C6B C7B C8B C9B 1(2) . . . . ?
C7B C6B C11B C10B 0(2) . . . . ?
C7B C8B C9B C10B 3(3) . . . . ?
C8B C9B C10B C11B -5(2) . . . . ?
C9B C10B C11B C6B 4(2) . . . . ?
C11B C6B C7B C8B -2(2) . . . . ?
C12 C5 C6B C7B -146.9(11) . . . . ?
C12 C5 C6B C11B 25.7(14) . . . . ?
C12 C5 C6A C7A -131.3(13) . . . . ?
C12 C5 C6A C11A 55.2(14) . . . . ?
C13 C2 C3 C4 -0.5(7) . . . . ?
C14 C15 C16 C17 177.8(4) . . . . ?
C14 C15 C26 C25 -174.1(5) . . . . ?
C15 C16 C17 C18 -6.0(8) . . . . ?
C16 C15 C26 C25 0.4(9) . . . . ?
C16 C17 C18 C19 -172.6(5) . . . . ?
C16 C17 C18 C25 4.6(9) . . . . ?
C17 C18 C19 C20 -41.1(9) . . . . ?
C17 C18 C19 C24 140.7(6) . . . . ?
C17 C18 C25 C26 -0.7(10) . . . . ?
C18 C19 C20 C21 -178.1(6) . . . . ?
C18 C19 C24 C23 178.3(6) . . . . ?
C18 C25 C26 C15 -1.8(10) . . . . ?
C19 C18 C25 C26 176.5(6) . . . . ?
C19 C20 C21 C22 -2.5(12) . . . . ?
C20 C19 C24 C23 0.0(10) . . . . ?
C20 C21 C22 C23 4.6(13) . . . . ?
C21 C22 C23 C24 -4.4(12) . . . . ?
C22 C23 C24 C19 2.1(11) . . . . ?
C24 C19 C20 C21 0.1(10) . . . . ?
C25 C18 C19 C20 141.8(7) . . . . ?
C25 C18 C19 C24 -36.4(9) . . . . ?
C26 C15 C16 C17 3.4(8) . . . . ?
C27 C28 C29 C30 -173.7(4) . . . . ?
C27 C28 C39 C38 173.6(4) . . . . ?
C28 C29 C30 C31 0.4(8) . . . . ?
C29 C28 C39 C38 -3.1(7) . . . . ?
C29 C30 C31 C32 176.6(5) . . . . ?
C29 C30 C31 C38 -3.6(8) . . . . ?
C30 C31 C32 C33 -35.6(9) . . . . ?
C30 C31 C32 C37 144.0(6) . . . . ?
C30 C31 C38 C39 3.4(8) . . . . ?
C31 C32 C33 C34 -179.9(6) . . . . ?
C31 C32 C37 C36 179.9(6) . . . . ?
C31 C38 C39 C28 -0.1(8) . . . . ?
C32 C31 C38 C39 -176.7(5) . . . . ?
C32 C33 C34 C35 0.5(11) . . . . ?
C33 C32 C37 C36 -0.4(9) . . . . ?
C33 C34 C35 C36 -1.3(11) . . . . ?
C34 C35 C36 C37 1.3(10) . . . . ?
C35 C36 C37 C32 -0.4(10) . . . . ?
C37 C32 C33 C34 0.4(10) . . . . ?
C38 C31 C32 C33 144.5(6) . . . . ?
C38 C31 C32 C37 -35.9(8) . . . . ?
C39 C28 C29 C30 3.0(7) . . . . ?
C40 N1 C44 C43 0.6(7) . . . . ?
C40 N1 C44 C45 179.5(4) . . . . ?
C40 C41 C42 C43 -0.1(9) . . . . ?
C41 C42 C43 C44 -0.4(9) . . . . ?
C42 C43 C44 N1 0.1(8) . . . . ?
C42 C43 C44 C45 -178.7(5) . . . . ?
C43 C44 C45 N2 178.8(5) . . . . ?
C43 C44 C45 C46 -0.7(8) . . . . ?
C44 N1 C40 C41 -1.1(7) . . . . ?
C44 C45 C46 C47 177.7(6) . . . . ?
C45 N2 C49 C48 -1.2(7) . . . . ?
C45 C46 C47 C48 1.0(13) . . . . ?
C46 C47 C48 C49 -0.3(11) . . . . ?
C47 C48 C49 N2 0.4(9) . . . . ?
C49 N2 C45 C44 -177.7(4) . . . . ?
C49 N2 C45 C46 1.9(8) . . . . ?
C6A C5 C12 C13 162.8(7) . . . . ?
C6A C7A C8A C9A 4(3) . . . . ?
C7A C6A C11A C10A -5(2) . . . . ?
C7A C8A C9A C10A -1(4) . . . . ?
C8A C9A C10A C11A -5(3) . . . . ?
C9A C10A C11A C6A 8(2) . . . . ?
C11A C6A C7A C8A -1(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Vapour deposition'
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_post
_database_code_depnum_ccdc_archive 'CCDC 2047644'
loop_
_audit_author_name
_audit_author_address
'Stanislav Melnikov'
;NS Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
Russia
;
_audit_update_record             
;
2020-12-01 deposited with the CCDC.	2021-06-15 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT026_post                
;
PROBLEM: Ratio Observed / Unique Reflections (too) Low ..        39% Check
RESPONSE: Because of the low quality of the obtained crystals
;
_vrf_PLAT084_post                
;
PROBLEM: High wR2 Value (i.e. > 0.25) ...................       0.38 Report
RESPONSE: Because of the low quality of the obtained crystals
;
_vrf_PLAT201_post                
;
PROBLEM: Isotropic non-H Atoms in Main Residue(s) .......          4 Report
RESPONSE: Caused by refinement of disordered phenyl ring in isotropic mode
;
_vrf_PLAT220_post                
;
PROBLEM: NonSolvent   Resd 1  C   Ueq(max)/Ueq(min) Range        6.1 Ratio
RESPONSE: Because of the low quality of the obtained crystals
;
_vrf_PLAT234_post                
;
PROBLEM: Large Hirshfeld Difference C47      --C48      .       0.28 Ang.
RESPONSE: Because of the low quality of the obtained crystals
;
_vrf_PLAT234_post_2              
;
PROBLEM: Large Hirshfeld Difference C80      --C81      .       0.28 Ang.
RESPONSE: Because of the low quality of the obtained crystals
;
_vrf_PLAT342_post                
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02529 Ang.
RESPONSE: Because of the low quality of the obtained crystals
;
# Added during the CSD deposition process: Tuesday 01 December 2020 07:19 PM
# end Validation Reply Form

_audit_creation_date             2020-09-11
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C88 H64 Eu N3 O15 Zn2, C2 H3 N'
_chemical_formula_sum            'C90 H67 Eu N4 O15 Zn2'
_chemical_formula_weight         1727.17
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   16.666(5)
_cell_length_b                   16.983(5)
_cell_length_c                   17.358(5)
_cell_angle_alpha                67.158(5)
_cell_angle_beta                 75.572(5)
_cell_angle_gamma                88.289(5)
_cell_volume                     4373(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4556
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      24.29
_cell_measurement_theta_min      2.40
_shelx_estimated_absorpt_T_max   0.869
_shelx_estimated_absorpt_T_min   0.602
_exptl_absorpt_coefficient_mu    1.316
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.4523
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1029 before and 0.0683 after correction.
The Ratio of minimum to maximum transmission is 0.6070.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.312
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1756
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1304
_diffrn_reflns_av_unetI/netI     0.2083
_diffrn_reflns_Laue_measured_fraction_full 0.966
_diffrn_reflns_Laue_measured_fraction_max 0.957
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            35418
_diffrn_reflns_point_group_measured_fraction_full 0.966
_diffrn_reflns_point_group_measured_fraction_max 0.957
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.346
_diffrn_reflns_theta_min         1.265
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5971
_reflns_number_total             15308
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         2.952
_refine_diff_density_min         -1.355
_refine_diff_density_rms         0.204
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     867
_refine_ls_number_reflns         15308
_refine_ls_number_restraints     330
_refine_ls_R_factor_all          0.2358
_refine_ls_R_factor_gt           0.1237
_refine_ls_restrained_S_all      1.011
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3014
_refine_ls_wR_factor_ref         0.3815
_refine_special_details          ?
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.7986
 0.2014
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Restrained distances
 N3B-O14B
 1.25 with sigma of 0.02
 N3B-O13B
 1.25 with sigma of 0.02
 N3B-O15B
 1.25 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
C2 \\sim C7 \\sim C6 \\sim C5 \\sim C4 \\sim C3: within 2A with sigma of 0.04
and sigma for terminal atoms of 0.08 within 2A
C60B \\sim C65B \\sim C64B \\sim C63B \\sim C62B \\sim C61B: within 2A with
sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
C54 \\sim C55 \\sim C56 \\sim C57 \\sim C58 \\sim C59: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08 within 2A
C50 \\sim C49 \\sim C48 \\sim C47 \\sim C52 \\sim C51: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08 within 2A
N1 \\sim C66 \\sim C67 \\sim C68 \\sim C69 \\sim C70: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08 within 2A
C8 \\sim C13 \\sim C12 \\sim C11 \\sim C10 \\sim C9: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08 within 2A
O14B \\sim N3B \\sim O15B \\sim O13B: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08 within 2A
: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(C2) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C50) \\sim Ueq, Uanis(C49) \\sim Ueq, Uanis(C48) \\sim Ueq, Uanis(C47)
\\sim Ueq, Uanis(C52) \\sim Ueq, Uanis(C51) \\sim Ueq: with sigma of 0.1 and
sigma for terminal atoms of 0.2
Uanis(C44) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(C3) \\sim Ueq, Uanis(C9) \\sim Ueq, Uanis(C38) \\sim Ueq, Uanis(C39)
\\sim Ueq, Uanis(C44) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C79) \\sim Ueq, Uanis(C67) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C87) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C81) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(C68) \\sim Ueq, Uanis(C81) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C57) \\sim Ueq, Uanis(C88) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C5) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C10) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C59) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C56) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C5) = Uanis(C8)
Uanis(C86) = Uanis(C87)
5. Others
 Sof(C60B)=Sof(C65B)=Sof(H65B)=Sof(C64B)=Sof(H64B)=Sof(C63B)=Sof(H63B)=
 Sof(C62B)=Sof(H62B)=Sof(C61B)=Sof(H61B)=1-FVAR(1)
 Sof(C62A)=Sof(H62A)=Sof(C61A)=Sof(H61A)=Sof(C60A)=Sof(C65A)=Sof(H65A)=
 Sof(C64A)=Sof(H64A)=Sof(C63A)=Sof(H63A)=FVAR(1)
 Sof(O13B)=Sof(O14B)=Sof(O15B)=Sof(N3B)=1-FVAR(2)
 Sof(O13A)=Sof(N3A)=Sof(O15A)=Sof(O14A)=FVAR(2)
6.a Aromatic/amide H refined with riding coordinates:
 C66(H66), C67(H67), C68(H68), C69(H69), C70(H70), C84(H84), C85(H85),
 C86(H86), C87(H87), C88(H88), C7(H7), C6(H6), C4(H4), C3(H3), C13(H13),
 C12(H12), C11(H11), C10(H10), C9(H9), C16(H16), C17(H17), C19(H19), C20(H20),
 C22(H22), C23(H23), C24(H24), C25(H25), C26(H26), C29(H29), C30(H30), C32(H32),
  C33(H33), C35(H35), C36(H36), C37(H37), C38(H38), C39(H39), C42(H42),
 C43(H43), C45(H45), C46(H46), C50(H50), C49(H49), C48(H48), C52(H52), C51(H51),
  C55(H55), C56(H56), C58(H58), C59(H59), C65B(H65B), C64B(H64B), C63B(H63B),
 C62B(H62B), C61B(H61B), C73(H73), C74(H74), C76(H76), C77(H77), C81(H81),
 C82(H82), C83(H83), C79(H79), C80(H80), C62A(H62A), C61A(H61A), C65A(H65A),
 C64A(H64A), C63A(H63A)
6.b Fitted hexagon refined as free rotating group:
 N1(C66,C67,C68,C69,C70), N2(C84,C85,C86,C87,C88), C2(C7,C6,C5,C4,C3), C8(C13,
 C12,C11,C10,C9), C50(C49,C48,C47,C52,C51), C54(C55,C56,C57,C58,C59), C60B(C65B,
 C64B,C63B,C62B,C61B), C81(C82,C83,C78,C79,C80), C62A(C61A,C60A,C65A,C64A,C63A)
6.c Idealised Me refined as rotating group:
 C60(H60A,H60B,H60C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.25550(5) 0.23135(5) 1.22596(6) 0.0649(4) Uani 1 1 d . . . . .
Zn1 Zn 0.09244(11) 0.03136(11) 1.32648(11) 0.0562(5) Uani 1 1 d . . . . .
Zn2 Zn 0.44762(11) 0.32899(11) 1.02828(12) 0.0600(6) Uani 1 1 d . . . . .
O1 O 0.1136(7) 0.2120(6) 1.2955(7) 0.069(3) Uani 1 1 d . . . . .
O2 O 0.0114(6) 0.1164(6) 1.3260(7) 0.063(3) Uani 1 1 d . . . . .
O3 O 0.1954(7) 0.1596(7) 1.1627(6) 0.064(3) Uani 1 1 d . . . . .
O4 O 0.1371(6) 0.0311(7) 1.2151(7) 0.070(3) Uani 1 1 d . . . . .
O5 O 0.2615(6) 0.0965(7) 1.3279(6) 0.066(3) Uani 1 1 d . . . . .
O6 O 0.1500(6) 0.0114(6) 1.4151(7) 0.061(3) Uani 1 1 d . . . . .
O7 O 0.2592(7) 0.3333(7) 1.0923(8) 0.085(4) Uani 1 1 d . . . . .
O8 O 0.3710(6) 0.4155(7) 1.0073(7) 0.063(3) Uani 1 1 d . . . . .
O9 O 0.3792(8) 0.3089(8) 1.2035(8) 0.078(3) Uani 1 1 d . . . . .
O10 O 0.5020(7) 0.3208(7) 1.1175(7) 0.063(3) Uani 1 1 d . . . . .
O11 O 0.3646(7) 0.1767(7) 1.1590(7) 0.067(3) Uani 1 1 d . . . . .
O12 O 0.4301(6) 0.2206(6) 1.0218(7) 0.070(3) Uani 1 1 d . . . . .
O13B O 0.2392(15) 0.2642(19) 1.3489(18) 0.055(7) Uiso 0.54(5) 1 d D U P A 2
O14B O 0.2145(13) 0.3635(15) 1.236(2) 0.062(9) Uiso 0.54(5) 1 d D U P A 2
O15B O 0.207(2) 0.380(2) 1.359(3) 0.121(14) Uiso 0.54(5) 1 d D U P A 2
N1 N 0.0290(6) -0.0824(6) 1.3782(6) 0.060(3) Uani 1 1 d G U . . .
C66 C -0.0285(7) -0.1076(7) 1.4583(7) 0.084(5) Uani 1 1 d G U . . .
H66 H -0.0389 -0.0698 1.4875 0.100 Uiso 1 1 calc R U . . .
C67 C -0.0709(7) -0.1882(8) 1.4955(7) 0.105(6) Uani 1 1 d G U . . .
H67 H -0.1102 -0.2055 1.5502 0.127 Uiso 1 1 calc R U . . .
C68 C -0.0557(9) -0.2435(6) 1.4527(9) 0.118(7) Uani 1 1 d G U . . .
H68 H -0.0846 -0.2986 1.4782 0.142 Uiso 1 1 calc R U . . .
C69 C 0.0019(9) -0.2182(8) 1.3727(9) 0.126(8) Uani 1 1 d G U . . .
H69 H 0.0122 -0.2560 1.3434 0.152 Uiso 1 1 calc R U . . .
C70 C 0.0442(7) -0.1377(8) 1.3354(7) 0.098(6) Uani 1 1 d G U . . .
H70 H 0.0835 -0.1204 1.2807 0.117 Uiso 1 1 calc R U . . .
N2 N 0.5298(6) 0.3846(6) 0.9154(6) 0.059(3) Uani 1 1 d G . . . .
C84 C 0.5359(8) 0.3524(7) 0.8519(8) 0.089(6) Uani 1 1 d G . . . .
H84 H 0.5002 0.3046 0.8627 0.107 Uiso 1 1 calc R U . . .
C85 C 0.5942(10) 0.3900(9) 0.7728(8) 0.141(11) Uani 1 1 d G . . . .
H85 H 0.5984 0.3680 0.7294 0.169 Uiso 1 1 calc R U . . .
C86 C 0.6465(8) 0.4599(9) 0.7571(7) 0.113(5) Uani 1 1 d G . . . .
H86 H 0.6863 0.4856 0.7029 0.136 Uiso 1 1 calc R U . . .
C87 C 0.6404(7) 0.4921(7) 0.8205(8) 0.113(5) Uani 1 1 d G U . . .
H87 H 0.6761 0.5398 0.8098 0.136 Uiso 1 1 calc R U . . .
C88 C 0.5820(7) 0.4544(7) 0.8997(7) 0.074(5) Uani 1 1 d G U . . .
H88 H 0.5779 0.4764 0.9431 0.088 Uiso 1 1 calc R U . . .
N3B N 0.2195(18) 0.3381(19) 1.312(2) 0.059(12) Uiso 0.54(5) 1 d D U P A 2
C1 C 0.0411(10) 0.1895(11) 1.3066(11) 0.067(5) Uani 1 1 d . . . . .
C2 C -0.0192(7) 0.2577(6) 1.2892(9) 0.083(5) Uani 1 1 d G U . . .
C7 C 0.0086(6) 0.3421(7) 1.2661(9) 0.091(6) Uani 1 1 d G U . . .
H7 H 0.0641 0.3554 1.2645 0.109 Uiso 1 1 calc R U . . .
C6 C -0.0448(8) 0.4071(5) 1.2453(9) 0.086(6) Uani 1 1 d G U . . .
H6 H -0.0258 0.4648 1.2295 0.103 Uiso 1 1 calc R U . . .
C5 C -0.1260(7) 0.3876(7) 1.2476(10) 0.100(4) Uani 1 1 d G U . . .
C4 C -0.1538(6) 0.3031(8) 1.2708(10) 0.115(7) Uani 1 1 d G U . . .
H4 H -0.2093 0.2898 1.2724 0.138 Uiso 1 1 calc R U . . .
C3 C -0.1004(7) 0.2382(6) 1.2916(9) 0.092(6) Uani 1 1 d G U . . .
H3 H -0.1194 0.1805 1.3074 0.111 Uiso 1 1 calc R U . . .
C8 C -0.1847(8) 0.4544(8) 1.2230(9) 0.100(4) Uani 1 1 d G U . . .
C13 C -0.1553(7) 0.5320(9) 1.1539(9) 0.100(6) Uani 1 1 d G U . . .
H13 H -0.0982 0.5418 1.1237 0.120 Uiso 1 1 calc R U . . .
C12 C -0.2095(10) 0.5952(7) 1.1291(9) 0.125(8) Uani 1 1 d G U . . .
H12 H -0.1895 0.6482 1.0819 0.150 Uiso 1 1 calc R U . . .
C11 C -0.2931(9) 0.5809(9) 1.1734(12) 0.135(9) Uani 1 1 d G U . . .
H11 H -0.3302 0.6241 1.1565 0.162 Uiso 1 1 calc R U . . .
C10 C -0.3225(7) 0.5034(11) 1.2425(11) 0.133(8) Uani 1 1 d G U . . .
H10 H -0.3796 0.4936 1.2728 0.159 Uiso 1 1 calc R U . . .
C9 C -0.2683(9) 0.4401(8) 1.2673(9) 0.123(7) Uani 1 1 d G U . . .
H9 H -0.2884 0.3871 1.3146 0.148 Uiso 1 1 calc R U . . .
C14 C 0.2209(8) 0.0465(9) 1.4014(9) 0.046(4) Uani 1 1 d . . . . .
C15 C 0.2590(10) 0.0294(10) 1.4712(11) 0.064(4) Uani 1 1 d . . . . .
C16 C 0.2201(10) -0.0310(11) 1.5515(11) 0.079(5) Uani 1 1 d . . . . .
H16 H 0.1673 -0.0576 1.5606 0.095 Uiso 1 1 calc R U . . .
C17 C 0.2574(9) -0.0531(12) 1.6192(10) 0.072(5) Uani 1 1 d . . . . .
H17 H 0.2301 -0.0945 1.6746 0.086 Uiso 1 1 calc R U . . .
C18 C 0.3352(11) -0.0148(11) 1.6063(11) 0.068(5) Uani 1 1 d . . . . .
C19 C 0.3700(10) 0.0443(12) 1.5271(10) 0.073(5) Uani 1 1 d . . . . .
H19 H 0.4222 0.0729 1.5167 0.087 Uiso 1 1 calc R U . . .
C20 C 0.3321(10) 0.0646(11) 1.4602(10) 0.063(4) Uani 1 1 d . . . . .
H20 H 0.3598 0.1054 1.4046 0.076 Uiso 1 1 calc R U . . .
C21 C 0.3711(13) -0.0364(12) 1.6778(12) 0.081(5) Uani 1 1 d . . . . .
C22 C 0.3225(12) -0.0530(14) 1.7651(13) 0.094(6) Uani 1 1 d . . . . .
H22 H 0.2646 -0.0458 1.7770 0.113 Uiso 1 1 calc R U . . .
C23 C 0.3613(13) -0.0787(13) 1.8277(12) 0.088(6) Uani 1 1 d . . . . .
H23 H 0.3284 -0.0942 1.8854 0.105 Uiso 1 1 calc R U . . .
C24 C 0.4421(15) -0.0843(14) 1.8158(16) 0.100(7) Uani 1 1 d . . . . .
H24 H 0.4657 -0.1006 1.8638 0.120 Uiso 1 1 calc R U . . .
C25 C 0.4927(12) -0.0666(14) 1.7342(15) 0.093(6) Uani 1 1 d . . . . .
H25 H 0.5510 -0.0710 1.7255 0.112 Uiso 1 1 calc R U . . .
C26 C 0.4570(11) -0.0424(13) 1.6654(13) 0.080(6) Uani 1 1 d . . . . .
H26 H 0.4913 -0.0296 1.6088 0.097 Uiso 1 1 calc R U . . .
C27 C 0.2961(11) 0.4045(9) 1.0422(11) 0.065(5) Uani 1 1 d . . . . .
C28 C 0.2440(10) 0.4772(9) 1.0136(11) 0.064(5) Uani 1 1 d . . . . .
C29 C 0.1632(10) 0.4709(11) 1.0553(11) 0.067(5) Uani 1 1 d . . . . .
H29 H 0.1390 0.4187 1.1017 0.080 Uiso 1 1 calc R U . . .
C30 C 0.1157(10) 0.5391(10) 1.0314(11) 0.068(5) Uani 1 1 d . . . . .
H30 H 0.0582 0.5331 1.0597 0.082 Uiso 1 1 calc R U . . .
C31 C 0.1508(11) 0.6168(11) 0.9662(14) 0.083(6) Uani 1 1 d . . . . .
C32 C 0.2337(11) 0.6225(11) 0.9287(14) 0.092(7) Uani 1 1 d . . . . .
H32 H 0.2596 0.6754 0.8847 0.111 Uiso 1 1 calc R U . . .
C33 C 0.2793(10) 0.5556(9) 0.9520(11) 0.066(5) Uani 1 1 d . . . . .
H33 H 0.3373 0.5623 0.9256 0.079 Uiso 1 1 calc R U . . .
C34 C 0.1039(11) 0.6923(11) 0.9373(14) 0.083(6) Uani 1 1 d . . . . .
C35 C 0.0216(12) 0.6815(13) 0.9374(13) 0.086(6) Uani 1 1 d . . . . .
H35 H -0.0034 0.6258 0.9543 0.103 Uiso 1 1 calc R U . . .
C36 C -0.0251(11) 0.7540(13) 0.9123(13) 0.089(6) Uani 1 1 d . . . . .
H36 H -0.0819 0.7469 0.9139 0.107 Uiso 1 1 calc R U . . .
C37 C 0.0120(16) 0.8348(13) 0.8855(16) 0.117(8) Uani 1 1 d . . . . .
H37 H -0.0180 0.8842 0.8674 0.140 Uiso 1 1 calc R U . . .
C38 C 0.0942(14) 0.8419(15) 0.8856(16) 0.108(7) Uani 1 1 d . U . . .
H38 H 0.1198 0.8971 0.8699 0.129 Uiso 1 1 calc R U . . .
C39 C 0.1416(15) 0.7702(15) 0.9084(15) 0.108(7) Uani 1 1 d . U . . .
H39 H 0.1993 0.7773 0.9031 0.130 Uiso 1 1 calc R U . . .
C40 C 0.1735(10) 0.0971(11) 1.1525(10) 0.057(4) Uani 1 1 d . . . . .
C41 C 0.1895(10) 0.1000(10) 1.0635(12) 0.068(5) Uani 1 1 d . . . . .
C42 C 0.1628(14) 0.0349(12) 1.0462(13) 0.092(6) Uani 1 1 d . . . . .
H42 H 0.1392 -0.0172 1.0930 0.110 Uiso 1 1 calc R U . . .
C43 C 0.1689(15) 0.0421(14) 0.9654(17) 0.111(8) Uani 1 1 d . . . . .
H43 H 0.1478 -0.0036 0.9557 0.133 Uiso 1 1 calc R U . . .
C44 C 0.2048(16) 0.1141(19) 0.8981(17) 0.115(8) Uani 1 1 d . U . . .
C45 C 0.2360(16) 0.1763(13) 0.9140(15) 0.117(8) Uani 1 1 d . . . . .
H45 H 0.2650 0.2256 0.8665 0.140 Uiso 1 1 calc R U . . .
C46 C 0.2278(13) 0.1714(11) 0.9949(12) 0.087(6) Uani 1 1 d . . . . .
H46 H 0.2487 0.2177 1.0039 0.105 Uiso 1 1 calc R U . . .
C50 C 0.2293(16) 0.1476(15) 0.6344(11) 0.177(12) Uani 1 1 d G U . . .
H50 H 0.2336 0.1544 0.5765 0.212 Uiso 1 1 calc R U . . .
C49 C 0.1623(13) 0.0987(12) 0.7006(16) 0.156(10) Uani 1 1 d G U . . .
H49 H 0.1208 0.0720 0.6879 0.187 Uiso 1 1 calc R U . . .
C48 C 0.1560(11) 0.0887(11) 0.7853(13) 0.160(10) Uani 1 1 d G U . . .
H48 H 0.1103 0.0553 0.8305 0.191 Uiso 1 1 calc R U . . .
C47 C 0.2168(15) 0.1277(14) 0.8038(11) 0.133(8) Uani 1 1 d G U . . .
C52 C 0.2837(13) 0.1766(14) 0.7376(16) 0.187(11) Uani 1 1 d G U . . .
H52 H 0.3252 0.2033 0.7502 0.224 Uiso 1 1 calc R U . . .
C51 C 0.2900(12) 0.1866(15) 0.6529(13) 0.186(12) Uani 1 1 d G U . . .
H51 H 0.3358 0.2200 0.6076 0.223 Uiso 1 1 calc R U . . .
C53 C 0.4557(12) 0.3106(10) 1.1880(12) 0.064(5) Uani 1 1 d . . . . .
C54 C 0.4935(7) 0.2928(8) 1.2594(7) 0.064(4) Uani 1 1 d G U . . .
C55 C 0.4493(6) 0.3078(9) 1.3311(9) 0.107(7) Uani 1 1 d G U . . .
H55 H 0.3964 0.3305 1.3319 0.128 Uiso 1 1 calc R U . . .
C56 C 0.4824(10) 0.2895(10) 1.4016(8) 0.117(7) Uani 1 1 d G U . . .
H56 H 0.4522 0.2997 1.4506 0.140 Uiso 1 1 calc R U . . .
C57 C 0.5597(10) 0.2562(10) 1.4005(8) 0.101(6) Uani 1 1 d G U . . .
C58 C 0.6039(7) 0.2413(9) 1.3288(10) 0.104(7) Uani 1 1 d G U . . .
H58 H 0.6568 0.2186 1.3280 0.125 Uiso 1 1 calc R U . . .
C59 C 0.5708(8) 0.2596(8) 1.2583(8) 0.091(6) Uani 1 1 d G U . . .
H59 H 0.6010 0.2494 1.2093 0.109 Uiso 1 1 calc R U . . .
C60B C 0.566(3) 0.244(3) 1.487(3) 0.16(2) Uiso 0.50(3) 1 d G U P B 2
C65B C 0.549(4) 0.301(3) 1.527(4) 0.25(3) Uiso 0.50(3) 1 d G U P B 2
H65B H 0.5254 0.3529 1.5008 0.295 Uiso 0.50(3) 1 calc R U P B 2
C64B C 0.566(4) 0.281(4) 1.607(4) 0.28(3) Uiso 0.50(3) 1 d G U P B 2
H64B H 0.5546 0.3203 1.6344 0.335 Uiso 0.50(3) 1 calc R U P B 2
C63B C 0.600(4) 0.205(4) 1.645(3) 0.24(3) Uiso 0.50(3) 1 d G U P B 2
H63B H 0.6122 0.1916 1.6997 0.291 Uiso 0.50(3) 1 calc R U P B 2
C62B C 0.617(3) 0.148(3) 1.605(3) 0.16(2) Uiso 0.50(3) 1 d G U P B 2
H62B H 0.6406 0.0956 1.6313 0.190 Uiso 0.50(3) 1 calc R U P B 2
C61B C 0.600(2) 0.167(2) 1.525(2) 0.084(12) Uiso 0.50(3) 1 d G U P B 2
H61B H 0.6114 0.1281 1.4976 0.100 Uiso 0.50(3) 1 calc R U P B 2
C71 C 0.3910(10) 0.1629(10) 1.0913(12) 0.061(4) Uani 1 1 d . . . . .
C72 C 0.3827(11) 0.0752(10) 1.0928(12) 0.073(5) Uani 1 1 d . . . . .
C73 C 0.3429(11) 0.0089(10) 1.1717(10) 0.070(5) Uani 1 1 d . . . . .
H73 H 0.3319 0.0167 1.2245 0.084 Uiso 1 1 calc R U . . .
C74 C 0.3211(12) -0.0656(11) 1.1702(13) 0.084(6) Uani 1 1 d . . . . .
H74 H 0.2929 -0.1100 1.2231 0.101 Uiso 1 1 calc R U . . .
C75 C 0.3371(11) -0.0807(11) 1.0976(13) 0.078(5) Uani 1 1 d . . . . .
C76 C 0.3796(12) -0.0162(14) 1.0216(13) 0.085(6) Uani 1 1 d . . . . .
H76 H 0.3939 -0.0271 0.9704 0.102 Uiso 1 1 calc R U . . .
C77 C 0.4015(12) 0.0605(12) 1.0168(14) 0.086(6) Uani 1 1 d . . . . .
H77 H 0.4291 0.1041 0.9630 0.103 Uiso 1 1 calc R U . . .
C81 C 0.2437(10) -0.3105(7) 1.0952(11) 0.107(7) Uani 1 1 d G U . . .
H81 H 0.2226 -0.3616 1.0946 0.128 Uiso 1 1 calc R U . . .
C82 C 0.3204(10) -0.2714(10) 1.0407(9) 0.117(8) Uani 1 1 d G . . . .
H82 H 0.3518 -0.2957 1.0029 0.141 Uiso 1 1 calc R U . . .
C83 C 0.3512(7) -0.1966(9) 1.0416(9) 0.096(6) Uani 1 1 d G . . . .
H83 H 0.4036 -0.1699 1.0043 0.115 Uiso 1 1 calc R U . . .
C78 C 0.3053(10) -0.1610(7) 1.0970(10) 0.085(6) Uani 1 1 d G . . . .
C79 C 0.2285(9) -0.2002(10) 1.1515(9) 0.110(7) Uani 1 1 d G U . . .
H79 H 0.1971 -0.1759 1.1894 0.131 Uiso 1 1 calc R U . . .
C80 C 0.1977(7) -0.2749(10) 1.1506(10) 0.119(9) Uani 1 1 d G . . . .
H80 H 0.1453 -0.3017 1.1879 0.142 Uiso 1 1 calc R U . . .
C62A C 0.687(2) 0.1701(19) 1.562(2) 0.123(18) Uiso 0.50(3) 1 d G . P B 1
H62A H 0.7169 0.1210 1.5834 0.148 Uiso 0.50(3) 1 calc R U P B 1
C61A C 0.648(2) 0.1788(17) 1.497(2) 0.098(14) Uiso 0.50(3) 1 d G . P B 1
H61A H 0.6513 0.1356 1.4746 0.118 Uiso 0.50(3) 1 calc R U P B 1
C60A C 0.605(2) 0.2507(19) 1.4653(17) 0.089(13) Uiso 0.50(3) 1 d G . P B 1
C65A C 0.6013(19) 0.3138(15) 1.4982(19) 0.088(13) Uiso 0.50(3) 1 d G . P B 1
H65A H 0.5719 0.3630 1.4765 0.105 Uiso 0.50(3) 1 calc R U P B 1
C64A C 0.640(2) 0.3051(18) 1.563(2) 0.106(16) Uiso 0.50(3) 1 d G . P B 1
H64A H 0.6375 0.3483 1.5853 0.128 Uiso 0.50(3) 1 calc R U P B 1
C63A C 0.683(2) 0.233(2) 1.595(2) 0.14(2) Uiso 0.50(3) 1 d G . P B 1
H63A H 0.7101 0.2273 1.6388 0.166 Uiso 0.50(3) 1 calc R U P B 1
C61 C 0.000(3) 0.189(3) 0.870(3) 0.201(16) Uiso 1 1 d . . . . .
C60 C 0.032(2) 0.265(2) 0.877(2) 0.188(14) Uiso 1 1 d . . . . .
H60A H 0.0335 0.3152 0.8238 0.282 Uiso 1 1 calc R U . . .
H60B H 0.0884 0.2564 0.8847 0.282 Uiso 1 1 calc R U . . .
H60C H -0.0040 0.2733 0.9265 0.282 Uiso 1 1 calc R U . . .
N62 N -0.031(2) 0.144(3) 0.842(3) 0.250(17) Uiso 1 1 d . . . . .
O13A O 0.2501(18) 0.238(2) 1.372(2) 0.062(9) Uiso 0.46(5) 1 d . . P A 1
N3A N 0.232(3) 0.313(3) 1.356(4) 0.096(14) Uiso 0.46(5) 1 d . . P A 1
O15A O 0.226(2) 0.355(2) 1.412(3) 0.111(16) Uiso 0.46(5) 1 d . . P A 1
O14A O 0.2178(17) 0.350(2) 1.275(3) 0.059(10) Uiso 0.46(5) 1 d . . P A 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O1 2.340(11) . ?
Eu1 O3 2.313(12) . ?
Eu1 O5 2.305(10) . ?
Eu1 O7 2.280(11) . ?
Eu1 O9 2.345(11) . ?
Eu1 O11 2.281(13) . ?
Eu1 O13B 2.36(3) . ?
Eu1 O14B 2.38(2) . ?
Eu1 N3B 2.73(3) . ?
Eu1 O13A 2.56(3) . ?
Eu1 N3A 3.03(5) . ?
Eu1 O14A 2.49(3) . ?
Zn1 O2 1.947(10) . ?
Zn1 O4 1.892(12) . ?
Zn1 O6 1.927(10) . ?
Zn1 N1 1.989(8) . ?
Zn2 O8 1.904(10) . ?
Zn2 O10 1.940(10) . ?
Zn2 O12 1.923(11) . ?
Zn2 N2 1.977(8) . ?
O1 C1 1.224(17) . ?
O2 C1 1.235(18) . ?
O3 C40 1.223(17) . ?
O4 C40 1.254(17) . ?
O5 C14 1.253(15) . ?
O6 C14 1.266(15) . ?
O7 C27 1.248(17) . ?
O8 C27 1.229(18) . ?
O9 C53 1.234(19) . ?
O10 C53 1.222(19) . ?
O11 C71 1.256(19) . ?
O12 C71 1.253(18) . ?
O13B N3B 1.245(18) . ?
O14B N3B 1.248(18) . ?
O15B N3B 1.255(18) . ?
N1 C66 1.3900 . ?
N1 C70 1.3900 . ?
C66 H66 0.9500 . ?
C66 C67 1.3900 . ?
C67 H67 0.9500 . ?
C67 C68 1.3900 . ?
C68 H68 0.9500 . ?
C68 C69 1.3900 . ?
C69 H69 0.9500 . ?
C69 C70 1.3900 . ?
C70 H70 0.9500 . ?
N2 C84 1.3900 . ?
N2 C88 1.3900 . ?
C84 H84 0.9500 . ?
C84 C85 1.3900 . ?
C85 H85 0.9500 . ?
C85 C86 1.3900 . ?
C86 H86 0.9500 . ?
C86 C87 1.3900 . ?
C87 H87 0.9500 . ?
C87 C88 1.3900 . ?
C88 H88 0.9500 . ?
C1 C2 1.501(18) . ?
C2 C7 1.3900 . ?
C2 C3 1.3900 . ?
C7 H7 0.9500 . ?
C7 C6 1.3900 . ?
C6 H6 0.9500 . ?
C6 C5 1.3900 . ?
C5 C4 1.3900 . ?
C5 C8 1.481(13) . ?
C4 H4 0.9500 . ?
C4 C3 1.3900 . ?
C3 H3 0.9500 . ?
C8 C13 1.3900 . ?
C8 C9 1.3900 . ?
C13 H13 0.9500 . ?
C13 C12 1.3900 . ?
C12 H12 0.9500 . ?
C12 C11 1.3900 . ?
C11 H11 0.9500 . ?
C11 C10 1.3900 . ?
C10 H10 0.9500 . ?
C10 C9 1.3900 . ?
C9 H9 0.9500 . ?
C14 C15 1.43(2) . ?
C15 C16 1.38(2) . ?
C15 C20 1.31(2) . ?
C16 H16 0.9500 . ?
C16 C17 1.38(2) . ?
C17 H17 0.9500 . ?
C17 C18 1.39(2) . ?
C18 C19 1.34(2) . ?
C18 C21 1.43(2) . ?
C19 H19 0.9500 . ?
C19 C20 1.38(2) . ?
C20 H20 0.9500 . ?
C21 C22 1.45(3) . ?
C21 C26 1.40(2) . ?
C22 H22 0.9500 . ?
C22 C23 1.33(2) . ?
C23 H23 0.9500 . ?
C23 C24 1.32(3) . ?
C24 H24 0.9500 . ?
C24 C25 1.38(3) . ?
C25 H25 0.9500 . ?
C25 C26 1.38(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.48(2) . ?
C28 C29 1.35(2) . ?
C28 C33 1.37(2) . ?
C29 H29 0.9500 . ?
C29 C30 1.37(2) . ?
C30 H30 0.9500 . ?
C30 C31 1.39(2) . ?
C31 C32 1.36(2) . ?
C31 C34 1.46(2) . ?
C32 H32 0.9500 . ?
C32 C33 1.33(2) . ?
C33 H33 0.9500 . ?
C34 C35 1.39(2) . ?
C34 C39 1.33(3) . ?
C35 H35 0.9500 . ?
C35 C36 1.42(3) . ?
C36 H36 0.9500 . ?
C36 C37 1.38(3) . ?
C37 H37 0.9500 . ?
C37 C38 1.38(3) . ?
C38 H38 0.9500 . ?
C38 C39 1.41(3) . ?
C39 H39 0.9500 . ?
C40 C41 1.48(2) . ?
C41 C42 1.37(2) . ?
C41 C46 1.36(2) . ?
C42 H42 0.9500 . ?
C42 C43 1.34(3) . ?
C43 H43 0.9500 . ?
C43 C44 1.34(3) . ?
C44 C45 1.34(3) . ?
C44 C47 1.52(3) . ?
C45 H45 0.9500 . ?
C45 C46 1.35(3) . ?
C46 H46 0.9500 . ?
C50 H50 0.9500 . ?
C50 C49 1.3900 . ?
C50 C51 1.3900 . ?
C49 H49 0.9500 . ?
C49 C48 1.3900 . ?
C48 H48 0.9500 . ?
C48 C47 1.3900 . ?
C47 C52 1.3900 . ?
C52 H52 0.9500 . ?
C52 C51 1.3900 . ?
C51 H51 0.9500 . ?
C53 C54 1.45(2) . ?
C54 C55 1.3900 . ?
C54 C59 1.3900 . ?
C55 H55 0.9500 . ?
C55 C56 1.3900 . ?
C56 H56 0.9500 . ?
C56 C57 1.3900 . ?
C57 C58 1.3900 . ?
C57 C60B 1.45(4) . ?
C57 C60A 1.48(2) . ?
C58 H58 0.9500 . ?
C58 C59 1.3900 . ?
C59 H59 0.9500 . ?
C60B C65B 1.3900 . ?
C60B C61B 1.3900 . ?
C65B H65B 0.9500 . ?
C65B C64B 1.3900 . ?
C64B H64B 0.9500 . ?
C64B C63B 1.3900 . ?
C63B H63B 0.9500 . ?
C63B C62B 1.3900 . ?
C62B H62B 0.9500 . ?
C62B C61B 1.3900 . ?
C61B H61B 0.9500 . ?
C71 C72 1.49(2) . ?
C72 C73 1.41(2) . ?
C72 C77 1.40(2) . ?
C73 H73 0.9500 . ?
C73 C74 1.34(2) . ?
C74 H74 0.9500 . ?
C74 C75 1.34(3) . ?
C75 C76 1.38(3) . ?
C75 C78 1.48(2) . ?
C76 H76 0.9500 . ?
C76 C77 1.33(2) . ?
C77 H77 0.9500 . ?
C81 H81 0.9500 . ?
C81 C82 1.3900 . ?
C81 C80 1.3900 . ?
C82 H82 0.9500 . ?
C82 C83 1.3900 . ?
C83 H83 0.9500 . ?
C83 C78 1.3900 . ?
C78 C79 1.3900 . ?
C79 H79 0.9500 . ?
C79 C80 1.3900 . ?
C80 H80 0.9500 . ?
C62A H62A 0.9500 . ?
C62A C61A 1.3900 . ?
C62A C63A 1.3900 . ?
C61A H61A 0.9500 . ?
C61A C60A 1.3900 . ?
C60A C65A 1.3900 . ?
C65A H65A 0.9500 . ?
C65A C64A 1.3900 . ?
C64A H64A 0.9500 . ?
C64A C63A 1.3900 . ?
C63A H63A 0.9500 . ?
C61 C60 1.46(5) . ?
C61 N62 1.23(5) . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
O13A N3A 1.24(5) . ?
N3A O15A 1.39(5) . ?
N3A O14A 1.38(6) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Eu1 O9 142.9(4) . . ?
O1 Eu1 O13B 72.7(6) . . ?
O1 Eu1 O14B 72.7(6) . . ?
O1 Eu1 N3B 70.8(7) . . ?
O1 Eu1 O13A 76.1(7) . . ?
O1 Eu1 N3A 73.6(8) . . ?
O1 Eu1 O14A 71.3(7) . . ?
O3 Eu1 O1 74.4(4) . . ?
O3 Eu1 O9 140.7(4) . . ?
O3 Eu1 O13B 144.9(6) . . ?
O3 Eu1 O14B 125.1(7) . . ?
O3 Eu1 N3B 141.8(7) . . ?
O3 Eu1 O13A 142.3(7) . . ?
O3 Eu1 N3A 148.0(9) . . ?
O3 Eu1 O14A 135.6(9) . . ?
O5 Eu1 O1 84.7(4) . . ?
O5 Eu1 O3 84.8(4) . . ?
O5 Eu1 O9 105.9(4) . . ?
O5 Eu1 O13B 80.3(8) . . ?
O5 Eu1 O14B 133.2(8) . . ?
O5 Eu1 N3B 106.9(8) . . ?
O5 Eu1 O13A 69.5(9) . . ?
O5 Eu1 N3A 93.0(12) . . ?
O5 Eu1 O14A 118.6(12) . . ?
O7 Eu1 O1 102.4(4) . . ?
O7 Eu1 O3 76.4(4) . . ?
O7 Eu1 O5 157.1(4) . . ?
O7 Eu1 O9 81.7(4) . . ?
O7 Eu1 O11 86.9(4) . . ?
O7 Eu1 O13B 122.5(8) . . ?
O7 Eu1 O14B 69.4(8) . . ?
O7 Eu1 N3B 96.0(8) . . ?
O7 Eu1 O13A 133.2(9) . . ?
O7 Eu1 N3A 109.9(12) . . ?
O7 Eu1 O14A 84.2(12) . . ?
O9 Eu1 O13B 74.3(6) . . ?
O9 Eu1 O14B 74.5(6) . . ?
O9 Eu1 N3B 72.1(7) . . ?
O9 Eu1 O13A 74.8(7) . . ?
O9 Eu1 N3A 70.5(8) . . ?
O9 Eu1 O14A 72.5(7) . . ?
O11 Eu1 O1 145.6(4) . . ?
O11 Eu1 O3 75.9(4) . . ?
O11 Eu1 O5 75.8(4) . . ?
O11 Eu1 O9 70.7(4) . . ?
O11 Eu1 O13B 129.6(7) . . ?
O11 Eu1 O14B 140.3(6) . . ?
O11 Eu1 N3B 141.8(7) . . ?
O11 Eu1 O13A 120.9(8) . . ?
O11 Eu1 N3A 134.5(10) . . ?
O11 Eu1 O14A 143.0(7) . . ?
O13B Eu1 O14B 54.2(7) . . ?
O13B Eu1 N3B 27.1(5) . . ?
O14B Eu1 N3B 27.2(5) . . ?
O13A Eu1 N3A 23.8(11) . . ?
O14A Eu1 O13A 50.4(12) . . ?
O14A Eu1 N3A 26.7(12) . . ?
O2 Zn1 N1 106.9(4) . . ?
O4 Zn1 O2 112.3(5) . . ?
O4 Zn1 O6 127.0(5) . . ?
O4 Zn1 N1 96.6(5) . . ?
O6 Zn1 O2 111.9(5) . . ?
O6 Zn1 N1 97.2(4) . . ?
O8 Zn2 O10 114.8(5) . . ?
O8 Zn2 O12 122.7(4) . . ?
O8 Zn2 N2 95.7(4) . . ?
O10 Zn2 N2 107.4(5) . . ?
O12 Zn2 O10 113.2(5) . . ?
O12 Zn2 N2 98.1(5) . . ?
C1 O1 Eu1 154.0(12) . . ?
C1 O2 Zn1 115.0(10) . . ?
C40 O3 Eu1 155.9(10) . . ?
C40 O4 Zn1 121.6(11) . . ?
C14 O5 Eu1 139.5(10) . . ?
C14 O6 Zn1 123.7(9) . . ?
C27 O7 Eu1 138.7(11) . . ?
C27 O8 Zn2 125.0(10) . . ?
C53 O9 Eu1 146.7(12) . . ?
C53 O10 Zn2 115.6(11) . . ?
C71 O11 Eu1 141.1(10) . . ?
C71 O12 Zn2 114.8(12) . . ?
N3B O13B Eu1 93.4(19) . . ?
N3B O14B Eu1 92.2(16) . . ?
C66 N1 Zn1 120.1(6) . . ?
C66 N1 C70 120.0 . . ?
C70 N1 Zn1 119.8(6) . . ?
N1 C66 H66 120.0 . . ?
N1 C66 C67 120.0 . . ?
C67 C66 H66 120.0 . . ?
C66 C67 H67 120.0 . . ?
C68 C67 C66 120.0 . . ?
C68 C67 H67 120.0 . . ?
C67 C68 H68 120.0 . . ?
C67 C68 C69 120.0 . . ?
C69 C68 H68 120.0 . . ?
C68 C69 H69 120.0 . . ?
C70 C69 C68 120.0 . . ?
C70 C69 H69 120.0 . . ?
N1 C70 H70 120.0 . . ?
C69 C70 N1 120.0 . . ?
C69 C70 H70 120.0 . . ?
C84 N2 Zn2 119.4(7) . . ?
C84 N2 C88 120.0 . . ?
C88 N2 Zn2 120.6(7) . . ?
N2 C84 H84 120.0 . . ?
N2 C84 C85 120.0 . . ?
C85 C84 H84 120.0 . . ?
C84 C85 H85 120.0 . . ?
C86 C85 C84 120.0 . . ?
C86 C85 H85 120.0 . . ?
C85 C86 H86 120.0 . . ?
C85 C86 C87 120.0 . . ?
C87 C86 H86 120.0 . . ?
C86 C87 H87 120.0 . . ?
C88 C87 C86 120.0 . . ?
C88 C87 H87 120.0 . . ?
N2 C88 H88 120.0 . . ?
C87 C88 N2 120.0 . . ?
C87 C88 H88 120.0 . . ?
O13B N3B Eu1 59.5(16) . . ?
O13B N3B O14B 120(3) . . ?
O13B N3B O15B 113(3) . . ?
O14B N3B Eu1 60.6(13) . . ?
O14B N3B O15B 127(3) . . ?
O15B N3B Eu1 173(2) . . ?
O1 C1 O2 127.5(15) . . ?
O1 C1 C2 117.8(14) . . ?
O2 C1 C2 114.6(13) . . ?
C7 C2 C1 118.8(10) . . ?
C7 C2 C3 120.0 . . ?
C3 C2 C1 121.1(10) . . ?
C2 C7 H7 120.0 . . ?
C2 C7 C6 120.0 . . ?
C6 C7 H7 120.0 . . ?
C7 C6 H6 120.0 . . ?
C5 C6 C7 120.0 . . ?
C5 C6 H6 120.0 . . ?
C6 C5 C4 120.0 . . ?
C6 C5 C8 122.3(10) . . ?
C4 C5 C8 117.6(10) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 C5 120.0 . . ?
C3 C4 H4 120.0 . . ?
C2 C3 H3 120.0 . . ?
C4 C3 C2 120.0 . . ?
C4 C3 H3 120.0 . . ?
C13 C8 C5 119.1(11) . . ?
C13 C8 C9 120.0 . . ?
C9 C8 C5 120.9(11) . . ?
C8 C13 H13 120.0 . . ?
C12 C13 C8 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C12 H12 120.0 . . ?
C11 C12 C13 120.0 . . ?
C11 C12 H12 120.0 . . ?
C12 C11 H11 120.0 . . ?
C12 C11 C10 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C10 H10 120.0 . . ?
C11 C10 C9 120.0 . . ?
C9 C10 H10 120.0 . . ?
C8 C9 H9 120.0 . . ?
C10 C9 C8 120.0 . . ?
C10 C9 H9 120.0 . . ?
O5 C14 O6 122.9(13) . . ?
O5 C14 C15 116.7(13) . . ?
O6 C14 C15 120.3(12) . . ?
C16 C15 C14 118.7(14) . . ?
C20 C15 C14 122.5(15) . . ?
C20 C15 C16 118.6(16) . . ?
C15 C16 H16 119.8 . . ?
C15 C16 C17 120.4(15) . . ?
C17 C16 H16 119.8 . . ?
C16 C17 H17 119.9 . . ?
C16 C17 C18 120.2(15) . . ?
C18 C17 H17 119.9 . . ?
C17 C18 C21 119.1(16) . . ?
C19 C18 C17 117.2(15) . . ?
C19 C18 C21 123.6(17) . . ?
C18 C19 H19 119.2 . . ?
C18 C19 C20 121.7(16) . . ?
C20 C19 H19 119.2 . . ?
C15 C20 C19 122.0(15) . . ?
C15 C20 H20 119.0 . . ?
C19 C20 H20 119.0 . . ?
C18 C21 C22 123.0(18) . . ?
C26 C21 C18 120.1(18) . . ?
C26 C21 C22 116.9(17) . . ?
C21 C22 H22 121.0 . . ?
C23 C22 C21 118.0(19) . . ?
C23 C22 H22 121.0 . . ?
C22 C23 H23 117.6 . . ?
C24 C23 C22 125(2) . . ?
C24 C23 H23 117.6 . . ?
C23 C24 H24 119.8 . . ?
C23 C24 C25 120.5(19) . . ?
C25 C24 H24 119.8 . . ?
C24 C25 H25 120.7 . . ?
C24 C25 C26 118.7(19) . . ?
C26 C25 H25 120.7 . . ?
C21 C26 H26 119.4 . . ?
C25 C26 C21 121.1(19) . . ?
C25 C26 H26 119.4 . . ?
O7 C27 C28 117.1(15) . . ?
O8 C27 O7 124.1(16) . . ?
O8 C27 C28 118.2(13) . . ?
C29 C28 C27 120.3(15) . . ?
C29 C28 C33 118.4(15) . . ?
C33 C28 C27 120.7(15) . . ?
C28 C29 H29 119.7 . . ?
C28 C29 C30 120.6(15) . . ?
C30 C29 H29 119.7 . . ?
C29 C30 H30 119.7 . . ?
C29 C30 C31 120.5(16) . . ?
C31 C30 H30 119.7 . . ?
C30 C31 C34 123.5(18) . . ?
C32 C31 C30 117.5(16) . . ?
C32 C31 C34 119.0(17) . . ?
C31 C32 H32 119.2 . . ?
C33 C32 C31 121.6(17) . . ?
C33 C32 H32 119.2 . . ?
C28 C33 H33 119.4 . . ?
C32 C33 C28 121.2(16) . . ?
C32 C33 H33 119.4 . . ?
C35 C34 C31 119.4(16) . . ?
C39 C34 C31 119.6(18) . . ?
C39 C34 C35 121.0(18) . . ?
C34 C35 H35 120.1 . . ?
C34 C35 C36 119.7(18) . . ?
C36 C35 H35 120.1 . . ?
C35 C36 H36 120.1 . . ?
C37 C36 C35 119.9(18) . . ?
C37 C36 H36 120.1 . . ?
C36 C37 H37 121.0 . . ?
C36 C37 C38 118(2) . . ?
C38 C37 H37 121.0 . . ?
C37 C38 H38 118.8 . . ?
C37 C38 C39 122(2) . . ?
C39 C38 H38 118.8 . . ?
C34 C39 C38 119(2) . . ?
C34 C39 H39 120.6 . . ?
C38 C39 H39 120.6 . . ?
O3 C40 O4 121.7(16) . . ?
O3 C40 C41 119.0(14) . . ?
O4 C40 C41 119.3(15) . . ?
C42 C41 C40 122.6(16) . . ?
C46 C41 C40 120.0(17) . . ?
C46 C41 C42 117.3(19) . . ?
C41 C42 H42 118.9 . . ?
C43 C42 C41 122.1(19) . . ?
C43 C42 H42 118.9 . . ?
C42 C43 H43 120.0 . . ?
C42 C43 C44 120(2) . . ?
C44 C43 H43 120.0 . . ?
C43 C44 C47 124(2) . . ?
C45 C44 C43 119(2) . . ?
C45 C44 C47 117(2) . . ?
C44 C45 H45 118.9 . . ?
C44 C45 C46 122(2) . . ?
C46 C45 H45 118.9 . . ?
C41 C46 H46 120.2 . . ?
C45 C46 C41 120(2) . . ?
C45 C46 H46 120.2 . . ?
C49 C50 H50 120.0 . . ?
C49 C50 C51 120.0 . . ?
C51 C50 H50 120.0 . . ?
C50 C49 H49 120.0 . . ?
C50 C49 C48 120.0 . . ?
C48 C49 H49 120.0 . . ?
C49 C48 H48 120.0 . . ?
C47 C48 C49 120.0 . . ?
C47 C48 H48 120.0 . . ?
C48 C47 C44 117(2) . . ?
C52 C47 C44 123(2) . . ?
C52 C47 C48 120.0 . . ?
C47 C52 H52 120.0 . . ?
C47 C52 C51 120.0 . . ?
C51 C52 H52 120.0 . . ?
C50 C51 H51 120.0 . . ?
C52 C51 C50 120.0 . . ?
C52 C51 H51 120.0 . . ?
O9 C53 C54 118.1(16) . . ?
O10 C53 O9 124.5(17) . . ?
O10 C53 C54 117.2(16) . . ?
C55 C54 C53 118.3(12) . . ?
C55 C54 C59 120.0 . . ?
C59 C54 C53 121.7(12) . . ?
C54 C55 H55 120.0 . . ?
C54 C55 C56 120.0 . . ?
C56 C55 H55 120.0 . . ?
C55 C56 H56 120.0 . . ?
C57 C56 C55 120.0 . . ?
C57 C56 H56 120.0 . . ?
C56 C57 C58 120.0 . . ?
C56 C57 C60B 100(2) . . ?
C56 C57 C60A 122.6(17) . . ?
C58 C57 C60B 140(2) . . ?
C58 C57 C60A 116.5(17) . . ?
C57 C58 H58 120.0 . . ?
C59 C58 C57 120.0 . . ?
C59 C58 H58 120.0 . . ?
C54 C59 H59 120.0 . . ?
C58 C59 C54 120.0 . . ?
C58 C59 H59 120.0 . . ?
C65B C60B C57 128(3) . . ?
C65B C60B C61B 120.0 . . ?
C61B C60B C57 112(3) . . ?
C60B C65B H65B 120.0 . . ?
C60B C65B C64B 120.0 . . ?
C64B C65B H65B 120.0 . . ?
C65B C64B H64B 120.0 . . ?
C63B C64B C65B 120.0 . . ?
C63B C64B H64B 120.0 . . ?
C64B C63B H63B 120.0 . . ?
C62B C63B C64B 120.0 . . ?
C62B C63B H63B 120.0 . . ?
C63B C62B H62B 120.0 . . ?
C61B C62B C63B 120.0 . . ?
C61B C62B H62B 120.0 . . ?
C60B C61B H61B 120.0 . . ?
C62B C61B C60B 120.0 . . ?
C62B C61B H61B 120.0 . . ?
O11 C71 C72 120.8(15) . . ?
O12 C71 O11 121.6(15) . . ?
O12 C71 C72 117.5(17) . . ?
C73 C72 C71 118.1(18) . . ?
C77 C72 C71 121.7(15) . . ?
C77 C72 C73 119.5(16) . . ?
C72 C73 H73 120.9 . . ?
C74 C73 C72 118.2(17) . . ?
C74 C73 H73 120.9 . . ?
C73 C74 H74 118.3 . . ?
C73 C74 C75 123.3(17) . . ?
C75 C74 H74 118.3 . . ?
C74 C75 C76 117.6(18) . . ?
C74 C75 C78 121.8(16) . . ?
C76 C75 C78 120.5(19) . . ?
C75 C76 H76 118.5 . . ?
C77 C76 C75 123(2) . . ?
C77 C76 H76 118.5 . . ?
C72 C77 H77 120.9 . . ?
C76 C77 C72 118.3(18) . . ?
C76 C77 H77 120.9 . . ?
C82 C81 H81 120.0 . . ?
C82 C81 C80 120.0 . . ?
C80 C81 H81 120.0 . . ?
C81 C82 H82 120.0 . . ?
C81 C82 C83 120.0 . . ?
C83 C82 H82 120.0 . . ?
C82 C83 H83 120.0 . . ?
C78 C83 C82 120.0 . . ?
C78 C83 H83 120.0 . . ?
C83 C78 C75 120.4(14) . . ?
C79 C78 C75 119.6(14) . . ?
C79 C78 C83 120.0 . . ?
C78 C79 H79 120.0 . . ?
C80 C79 C78 120.0 . . ?
C80 C79 H79 120.0 . . ?
C81 C80 H80 120.0 . . ?
C79 C80 C81 120.0 . . ?
C79 C80 H80 120.0 . . ?
C61A C62A H62A 120.0 . . ?
C61A C62A C63A 120.0 . . ?
C63A C62A H62A 120.0 . . ?
C62A C61A H61A 120.0 . . ?
C62A C61A C60A 120.0 . . ?
C60A C61A H61A 120.0 . . ?
C61A C60A C57 119(2) . . ?
C65A C60A C57 121(2) . . ?
C65A C60A C61A 120.0 . . ?
C60A C65A H65A 120.0 . . ?
C60A C65A C64A 120.0 . . ?
C64A C65A H65A 120.0 . . ?
C65A C64A H64A 120.0 . . ?
C65A C64A C63A 120.0 . . ?
C63A C64A H64A 120.0 . . ?
C62A C63A H63A 120.0 . . ?
C64A C63A C62A 120.0 . . ?
C64A C63A H63A 120.0 . . ?
N62 C61 C60 160(5) . . ?
C61 C60 H60A 109.5 . . ?
C61 C60 H60B 109.5 . . ?
C61 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
N3A O13A Eu1 100(3) . . ?
O13A N3A Eu1 56(2) . . ?
O13A N3A O15A 126(4) . . ?
O13A N3A O14A 110(4) . . ?
O15A N3A Eu1 176(3) . . ?
O14A N3A Eu1 54(2) . . ?
O14A N3A O15A 124(4) . . ?
N3A O14A Eu1 99(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 O1 C1 O2 62(3) . . . . ?
Eu1 O1 C1 C2 -114(2) . . . . ?
Eu1 O3 C40 O4 46(4) . . . . ?
Eu1 O3 C40 C41 -135(2) . . . . ?
Eu1 O5 C14 O6 68(2) . . . . ?
Eu1 O5 C14 C15 -112.5(15) . . . . ?
Eu1 O7 C27 O8 66(3) . . . . ?
Eu1 O7 C27 C28 -123.1(16) . . . . ?
Eu1 O9 C53 O10 73(3) . . . . ?
Eu1 O9 C53 C54 -102(2) . . . . ?
Eu1 O11 C71 O12 83(2) . . . . ?
Eu1 O11 C71 C72 -102.0(17) . . . . ?
Eu1 O13B N3B O14B 1(3) . . . . ?
Eu1 O13B N3B O15B -178(3) . . . . ?
Eu1 O14B N3B O13B -1(3) . . . . ?
Eu1 O14B N3B O15B 178(3) . . . . ?
Eu1 O13A N3A O15A -176(4) . . . . ?
Eu1 O13A N3A O14A 6(3) . . . . ?
Zn1 O2 C1 O1 -7(2) . . . . ?
Zn1 O2 C1 C2 168.5(10) . . . . ?
Zn1 O4 C40 O3 14(2) . . . . ?
Zn1 O4 C40 C41 -165.6(11) . . . . ?
Zn1 O6 C14 O5 -2(2) . . . . ?
Zn1 O6 C14 C15 179.0(11) . . . . ?
Zn1 N1 C66 C67 -178.0(8) . . . . ?
Zn1 N1 C70 C69 178.0(8) . . . . ?
Zn2 O8 C27 O7 -5(2) . . . . ?
Zn2 O8 C27 C28 -175.3(11) . . . . ?
Zn2 O10 C53 O9 -3(2) . . . . ?
Zn2 O10 C53 C54 172.1(9) . . . . ?
Zn2 O12 C71 O11 1.3(19) . . . . ?
Zn2 O12 C71 C72 -174.1(11) . . . . ?
Zn2 N2 C84 C85 -179.0(8) . . . . ?
Zn2 N2 C88 C87 179.0(8) . . . . ?
O1 C1 C2 C7 -3(2) . . . . ?
O1 C1 C2 C3 173.2(13) . . . . ?
O2 Zn1 O4 C40 57.8(12) . . . . ?
O2 C1 C2 C7 -179.5(12) . . . . ?
O2 C1 C2 C3 -3(2) . . . . ?
O3 C40 C41 C42 -176.1(17) . . . . ?
O3 C40 C41 C46 0(2) . . . . ?
O4 C40 C41 C42 3(3) . . . . ?
O4 C40 C41 C46 179.1(16) . . . . ?
O5 C14 C15 C16 -174.3(16) . . . . ?
O5 C14 C15 C20 1(2) . . . . ?
O6 Zn1 O4 C40 -86.6(12) . . . . ?
O6 C14 C15 C16 5(2) . . . . ?
O6 C14 C15 C20 -179.5(16) . . . . ?
O7 C27 C28 C29 15(3) . . . . ?
O7 C27 C28 C33 -173.6(17) . . . . ?
O8 C27 C28 C29 -173.8(16) . . . . ?
O8 C27 C28 C33 -2(3) . . . . ?
O9 C53 C54 C55 -24.8(18) . . . . ?
O9 C53 C54 C59 153.5(12) . . . . ?
O10 C53 C54 C55 159.8(12) . . . . ?
O10 C53 C54 C59 -21.9(18) . . . . ?
O11 C71 C72 C73 1(2) . . . . ?
O11 C71 C72 C77 171.4(17) . . . . ?
O12 C71 C72 C73 176.7(15) . . . . ?
O12 C71 C72 C77 -13(2) . . . . ?
N1 Zn1 O4 C40 169.2(12) . . . . ?
N1 C66 C67 C68 0.0 . . . . ?
C66 N1 C70 C69 0.0 . . . . ?
C66 C67 C68 C69 0.0 . . . . ?
C67 C68 C69 C70 0.0 . . . . ?
C68 C69 C70 N1 0.0 . . . . ?
C70 N1 C66 C67 0.0 . . . . ?
N2 C84 C85 C86 0.0 . . . . ?
C84 N2 C88 C87 0.0 . . . . ?
C84 C85 C86 C87 0.0 . . . . ?
C85 C86 C87 C88 0.0 . . . . ?
C86 C87 C88 N2 0.0 . . . . ?
C88 N2 C84 C85 0.0 . . . . ?
C1 C2 C7 C6 176.6(14) . . . . ?
C1 C2 C3 C4 -176.6(14) . . . . ?
C2 C7 C6 C5 0.0 . . . . ?
C7 C2 C3 C4 0.0 . . . . ?
C7 C6 C5 C4 0.0 . . . . ?
C7 C6 C5 C8 -177.7(15) . . . . ?
C6 C5 C4 C3 0.0 . . . . ?
C6 C5 C8 C13 38.1(17) . . . . ?
C6 C5 C8 C9 -142.7(10) . . . . ?
C5 C4 C3 C2 0.0 . . . . ?
C5 C8 C13 C12 179.2(15) . . . . ?
C5 C8 C9 C10 -179.2(15) . . . . ?
C4 C5 C8 C13 -139.7(9) . . . . ?
C4 C5 C8 C9 39.6(15) . . . . ?
C3 C2 C7 C6 0.0 . . . . ?
C8 C5 C4 C3 177.8(14) . . . . ?
C8 C13 C12 C11 0.0 . . . . ?
C13 C8 C9 C10 0.0 . . . . ?
C13 C12 C11 C10 0.0 . . . . ?
C12 C11 C10 C9 0.0 . . . . ?
C11 C10 C9 C8 0.0 . . . . ?
C9 C8 C13 C12 0.0 . . . . ?
C14 C15 C16 C17 176.0(17) . . . . ?
C14 C15 C20 C19 -176.6(16) . . . . ?
C15 C16 C17 C18 0(3) . . . . ?
C16 C15 C20 C19 -1(3) . . . . ?
C16 C17 C18 C19 1(3) . . . . ?
C16 C17 C18 C21 177.7(18) . . . . ?
C17 C18 C19 C20 -2(3) . . . . ?
C17 C18 C21 C22 -36(3) . . . . ?
C17 C18 C21 C26 144(2) . . . . ?
C18 C19 C20 C15 2(3) . . . . ?
C18 C21 C22 C23 175(2) . . . . ?
C18 C21 C26 C25 -177.3(19) . . . . ?
C19 C18 C21 C22 140(2) . . . . ?
C19 C18 C21 C26 -40(3) . . . . ?
C20 C15 C16 C17 1(3) . . . . ?
C21 C18 C19 C20 -178.4(18) . . . . ?
C21 C22 C23 C24 5(4) . . . . ?
C22 C21 C26 C25 3(3) . . . . ?
C22 C23 C24 C25 -3(4) . . . . ?
C23 C24 C25 C26 0(3) . . . . ?
C24 C25 C26 C21 0(3) . . . . ?
C26 C21 C22 C23 -5(3) . . . . ?
C27 C28 C29 C30 177.3(16) . . . . ?
C27 C28 C33 C32 -176.9(18) . . . . ?
C28 C29 C30 C31 -3(3) . . . . ?
C29 C28 C33 C32 -5(3) . . . . ?
C29 C30 C31 C32 -1(3) . . . . ?
C29 C30 C31 C34 180.0(18) . . . . ?
C30 C31 C32 C33 1(3) . . . . ?
C30 C31 C34 C35 -34(3) . . . . ?
C30 C31 C34 C39 148(2) . . . . ?
C31 C32 C33 C28 2(3) . . . . ?
C31 C34 C35 C36 178(2) . . . . ?
C31 C34 C39 C38 -176(2) . . . . ?
C32 C31 C34 C35 147(2) . . . . ?
C32 C31 C34 C39 -31(3) . . . . ?
C33 C28 C29 C30 6(3) . . . . ?
C34 C31 C32 C33 -179.5(19) . . . . ?
C34 C35 C36 C37 2(3) . . . . ?
C35 C34 C39 C38 6(4) . . . . ?
C35 C36 C37 C38 -1(4) . . . . ?
C36 C37 C38 C39 3(4) . . . . ?
C37 C38 C39 C34 -6(4) . . . . ?
C39 C34 C35 C36 -5(3) . . . . ?
C40 C41 C42 C43 172(2) . . . . ?
C40 C41 C46 C45 -174.5(19) . . . . ?
C41 C42 C43 C44 2(4) . . . . ?
C42 C41 C46 C45 2(3) . . . . ?
C42 C43 C44 C45 2(4) . . . . ?
C42 C43 C44 C47 178(2) . . . . ?
C43 C44 C45 C46 -4(4) . . . . ?
C43 C44 C47 C48 33(3) . . . . ?
C43 C44 C47 C52 -148(2) . . . . ?
C44 C45 C46 C41 3(4) . . . . ?
C44 C47 C52 C51 -180(2) . . . . ?
C45 C44 C47 C48 -151(2) . . . . ?
C45 C44 C47 C52 29(3) . . . . ?
C46 C41 C42 C43 -4(3) . . . . ?
C50 C49 C48 C47 0.0 . . . . ?
C49 C50 C51 C52 0.0 . . . . ?
C49 C48 C47 C44 179.6(19) . . . . ?
C49 C48 C47 C52 0.0 . . . . ?
C48 C47 C52 C51 0.0 . . . . ?
C47 C44 C45 C46 179(2) . . . . ?
C47 C52 C51 C50 0.0 . . . . ?
C51 C50 C49 C48 0.0 . . . . ?
C53 C54 C55 C56 178.3(12) . . . . ?
C53 C54 C59 C58 -178.3(12) . . . . ?
C54 C55 C56 C57 0.0 . . . . ?
C55 C54 C59 C58 0.0 . . . . ?
C55 C56 C57 C58 0.0 . . . . ?
C55 C56 C57 C60B -177(2) . . . . ?
C55 C56 C57 C60A 168.2(18) . . . . ?
C56 C57 C58 C59 0.0 . . . . ?
C56 C57 C60B C65B -47(3) . . . . ?
C56 C57 C60B C61B 140(2) . . . . ?
C56 C57 C60A C61A 140.6(15) . . . . ?
C56 C57 C60A C65A -35(3) . . . . ?
C57 C58 C59 C54 0.0 . . . . ?
C57 C60B C65B C64B -173(4) . . . . ?
C57 C60B C61B C62B 174(3) . . . . ?
C57 C60A C65A C64A 176(3) . . . . ?
C58 C57 C60B C65B 137(3) . . . . ?
C58 C57 C60B C61B -37(4) . . . . ?
C58 C57 C60A C61A -51(2) . . . . ?
C58 C57 C60A C65A 133.1(17) . . . . ?
C59 C54 C55 C56 0.0 . . . . ?
C60B C57 C58 C59 176(3) . . . . ?
C60B C65B C64B C63B 0.0 . . . . ?
C65B C60B C61B C62B 0.0 . . . . ?
C65B C64B C63B C62B 0.0 . . . . ?
C64B C63B C62B C61B 0.0 . . . . ?
C63B C62B C61B C60B 0.0 . . . . ?
C61B C60B C65B C64B 0.0 . . . . ?
C71 C72 C73 C74 167.4(17) . . . . ?
C71 C72 C77 C76 -168.9(17) . . . . ?
C72 C73 C74 C75 2(3) . . . . ?
C73 C72 C77 C76 1(3) . . . . ?
C73 C74 C75 C76 1(3) . . . . ?
C73 C74 C75 C78 -174.3(17) . . . . ?
C74 C75 C76 C77 -3(3) . . . . ?
C74 C75 C78 C83 -147.1(16) . . . . ?
C74 C75 C78 C79 34(2) . . . . ?
C75 C76 C77 C72 2(3) . . . . ?
C75 C78 C79 C80 179.2(13) . . . . ?
C76 C75 C78 C83 37(2) . . . . ?
C76 C75 C78 C79 -141.8(16) . . . . ?
C77 C72 C73 C74 -3(3) . . . . ?
C81 C82 C83 C78 0.0 . . . . ?
C82 C81 C80 C79 0.0 . . . . ?
C82 C83 C78 C75 -179.2(13) . . . . ?
C82 C83 C78 C79 0.0 . . . . ?
C83 C78 C79 C80 0.0 . . . . ?
C78 C75 C76 C77 172.4(18) . . . . ?
C78 C79 C80 C81 0.0 . . . . ?
C80 C81 C82 C83 0.0 . . . . ?
C62A C61A C60A C57 -176(3) . . . . ?
C62A C61A C60A C65A 0.0 . . . . ?
C61A C62A C63A C64A 0.0 . . . . ?
C61A C60A C65A C64A 0.0 . . . . ?
C60A C57 C58 C59 -168.9(17) . . . . ?
C60A C65A C64A C63A 0.0 . . . . ?
C65A C64A C63A C62A 0.0 . . . . ?
C63A C62A C61A C60A 0.0 . . . . ?
O13A N3A O14A Eu1 -6(3) . . . . ?
O15A N3A O14A Eu1 176(3) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.000 14.1 0.0 ?
2 -0.548 0.500 0.500 772.2 345.7 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.7986
2 0.2014

_exptl_crystal_recrystallization_method 'Vapour deposition'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_znp
_database_code_depnum_ccdc_archive 'CCDC 2047645'
loop_
_audit_author_name
_audit_author_address
'Stanislav Melnikov'
;NS Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
Russia
;
_audit_update_record             
;
2020-12-01 deposited with the CCDC.	2021-06-15 downloaded from the CCDC.
;
_audit_creation_date             2020-12-01
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C88 H64 Eu N3 O15 Zn2, 1.5(C2 H3 N)'
_chemical_formula_sum            'C91 H68.50 Eu N4.50 O15 Zn2'
_chemical_formula_weight         1747.70
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.7393(5)
_cell_length_b                   22.1195(10)
_cell_length_c                   30.8117(13)
_cell_angle_alpha                90
_cell_angle_beta                 100.6610(10)
_cell_angle_gamma                90
_cell_volume                     7862.7(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9824
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.21
_cell_measurement_theta_min      2.20
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.464
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.476
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3556
_exptl_crystal_size_max          0.01
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0352
_diffrn_reflns_av_unetI/netI     0.0358
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            66532
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.239
_diffrn_reflns_theta_min         2.204
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                16234
_reflns_number_total             19345
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         0.756
_refine_diff_density_min         -0.867
_refine_diff_density_rms         0.075
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1046
_refine_ls_number_reflns         19345
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0437
_refine_ls_R_factor_gt           0.0318
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0270P)²+6.2650P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0667
_refine_ls_wR_factor_ref         0.0709
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Sof(C8A)=Sof(C13A)=Sof(H13A)=Sof(C12A)=Sof(H12A)=Sof(C11A)=Sof(H11A)=
 Sof(C10A)=Sof(H10A)=Sof(C9A)=Sof(H9A)=1-FVAR(1)
 Sof(C13)=Sof(H13)=Sof(C12)=Sof(H12)=Sof(C11)=Sof(H11)=Sof(C10)=Sof(H10)=
 Sof(C9)=Sof(H9)=Sof(C8)=FVAR(1)
 Fixed Sof: N2S(0.5) C3S(0.5) C4S(0.5) H4SA(0.5) H4SB(0.5) H4SC(0.5)
3.a Riding coordinates:
 C1S(H1SA,H1SB,H1SC), C4S(H4SA,H4SB,H4SC)
3.b Aromatic/amide H refined with riding coordinates:
 C76(H76), C55(H55), C17(H17), C33(H33), C19(H19), C42(H42), C79(H79),
 C16(H16), C29(H29), C72(H72), C20(H20), C84(H84), C36(H36), C43(H43), C69(H69),
  C23(H23), C32(H32), C46(H46), C71(H71), C22(H22), C45(H45), C3(H3), C56(H56),
 C78(H78), C30(H30), C61(H61), C59(H59), C35(H35), C68(H68), C74(H74), C80(H80),
  C58(H58), C81(H81), C82(H82), C83(H83), C39(H39), C75(H75), C85(H85),
 C65(H65), C4(H4), C62(H62), C51(H51), C38(H38), C52(H52), C64(H64), C50(H50),
 C48(H48), C37(H37), C49(H49), C13(H13), C12(H12), C11(H11), C10(H10), C9(H9),
 C63(H63), C7(H7), C24(H24), C77(H77), C88(H88), C86(H86), C26(H26), C6(H6),
 C87(H87), C25(H25), C13A(H13A), C12A(H12A), C11A(H11A), C10A(H10A), C9A(H9A)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.21683(2) 0.62119(2) 0.77837(2) 0.01617(3) Uani 1 1 d . . . . .
Zn2 Zn 0.06934(2) 0.77708(2) 0.75068(2) 0.01994(6) Uani 1 1 d . . . . .
Zn1 Zn 0.09085(2) 0.45068(2) 0.76633(2) 0.02006(6) Uani 1 1 d . . . . .
O15 O 0.39550(14) 0.65199(8) 0.83069(5) 0.0265(4) Uani 1 1 d . . . . .
O3 O -0.01531(14) 0.48362(7) 0.80248(5) 0.0251(4) Uani 1 1 d . . . . .
O7 O 0.28422(14) 0.70390(7) 0.74213(5) 0.0241(4) Uani 1 1 d . . . . .
O11 O 0.05667(14) 0.66713(8) 0.72910(5) 0.0275(4) Uani 1 1 d . . . . .
O10 O 0.15954(15) 0.79118(7) 0.81046(5) 0.0260(4) Uani 1 1 d . . . . .
O6 O 0.26271(15) 0.53313(8) 0.82133(6) 0.0291(4) Uani 1 1 d . . . . .
O8 O 0.17012(14) 0.77588(7) 0.70631(5) 0.0257(4) Uani 1 1 d . . . . .
O4 O 0.04306(14) 0.57653(7) 0.79026(5) 0.0228(3) Uani 1 1 d . . . . .
O13 O 0.42424(15) 0.60029(8) 0.77445(6) 0.0298(4) Uani 1 1 d . . . . .
O9 O 0.15526(14) 0.69277(7) 0.82390(5) 0.0234(3) Uani 1 1 d . . . . .
O1 O 0.11140(15) 0.47083(8) 0.70672(5) 0.0283(4) Uani 1 1 d . . . . .
N1 N 0.01299(17) 0.36932(9) 0.74774(6) 0.0237(4) Uani 1 1 d . . . . .
C40 C 0.2502(2) 0.73708(10) 0.70896(7) 0.0217(5) Uani 1 1 d . . . . .
O5 O 0.23536(14) 0.43511(7) 0.80752(5) 0.0246(4) Uani 1 1 d . . . . .
N3 N 0.46707(17) 0.62777(9) 0.80983(7) 0.0275(5) Uani 1 1 d . . . . .
O2 O 0.21466(15) 0.55526(8) 0.72047(5) 0.0314(4) Uani 1 1 d . . . . .
N2 N -0.00378(16) 0.85984(9) 0.73524(6) 0.0210(4) Uani 1 1 d . . . . .
O12 O -0.08017(15) 0.72865(8) 0.74153(6) 0.0314(4) Uani 1 1 d . . . . .
C2 C 0.1764(2) 0.51893(11) 0.64746(7) 0.0229(5) Uani 1 1 d . . . . .
C76 C -0.5000(3) 0.38185(14) 0.64065(9) 0.0406(7) Uani 1 1 d . . . . .
H76 H -0.545261 0.348983 0.629239 0.049 Uiso 1 1 calc R U . . .
C55 C 0.2369(2) 0.71051(11) 0.91371(8) 0.0275(5) Uani 1 1 d . . . . .
H55 H 0.208841 0.672492 0.904262 0.033 Uiso 1 1 calc R U . . .
C17 C -0.1824(2) 0.54779(11) 0.90223(8) 0.0258(5) Uani 1 1 d . . . . .
H17 H -0.211312 0.521220 0.920931 0.031 Uiso 1 1 calc R U . . .
O14 O 0.57154(16) 0.63051(9) 0.82277(7) 0.0449(5) Uani 1 1 d . . . . .
C14 C -0.01169(18) 0.54032(10) 0.80964(7) 0.0195(4) Uani 1 1 d . . . . .
C70 C -0.2861(2) 0.53236(11) 0.68856(8) 0.0246(5) Uani 1 1 d . . . . .
C66 C -0.0485(2) 0.67730(11) 0.72950(7) 0.0254(5) Uani 1 1 d . . . . .
C41 C 0.3060(2) 0.72983(10) 0.66934(7) 0.0228(5) Uani 1 1 d . . . . .
C33 C 0.4382(2) 0.51036(11) 0.89270(8) 0.0244(5) Uani 1 1 d . . . . .
H33 H 0.410140 0.549637 0.888349 0.029 Uiso 1 1 calc R U . . .
C19 C -0.1534(2) 0.64867(12) 0.87825(8) 0.0269(5) Uani 1 1 d . . . . .
H19 H -0.163934 0.690160 0.880360 0.032 Uiso 1 1 calc R U . . .
C42 C 0.4147(2) 0.70326(11) 0.67277(8) 0.0264(5) Uani 1 1 d . . . . .
H42 H 0.454162 0.690172 0.700135 0.032 Uiso 1 1 calc R U . . .
C31 C 0.5767(2) 0.44001(11) 0.93241(7) 0.0234(5) Uani 1 1 d . . . . .
C27 C 0.28821(19) 0.47902(10) 0.82867(7) 0.0198(5) Uani 1 1 d . . . . .
C79 C -0.0842(2) 0.35203(12) 0.76073(8) 0.0297(5) Uani 1 1 d . . . . .
H79 H -0.113174 0.376029 0.780974 0.036 Uiso 1 1 calc R U . . .
C67 C -0.1348(2) 0.62898(11) 0.71477(8) 0.0240(5) Uani 1 1 d . . . . .
C16 C -0.1237(2) 0.52544(11) 0.87094(8) 0.0236(5) Uani 1 1 d . . . . .
H16 H -0.114672 0.483898 0.868369 0.028 Uiso 1 1 calc R U . . .
C29 C 0.4295(2) 0.40570(11) 0.87184(7) 0.0217(5) Uani 1 1 d . . . . .
H29 H 0.394258 0.374459 0.854068 0.026 Uiso 1 1 calc R U . . .
C72 C -0.2486(2) 0.63164(12) 0.72120(9) 0.0301(6) Uani 1 1 d . . . . .
H72 H -0.274695 0.665598 0.734238 0.036 Uiso 1 1 calc R U . . .
C20 C -0.0924(2) 0.62621(11) 0.84732(8) 0.0253(5) Uani 1 1 d . . . . .
H20 H -0.061110 0.652766 0.829271 0.030 Uiso 1 1 calc R U . . .
C84 C -0.1036(2) 0.86671(12) 0.70636(8) 0.0281(5) Uani 1 1 d . . . . .
H84 H -0.144055 0.832517 0.694583 0.034 Uiso 1 1 calc R U . . .
C36 C 0.8772(2) 0.39217(15) 0.98798(11) 0.0462(8) Uani 1 1 d . . . . .
H36 H 0.940508 0.371838 0.980745 0.055 Uiso 1 1 calc R U . . .
C43 C 0.4644(2) 0.69617(12) 0.63575(9) 0.0298(6) Uani 1 1 d . . . . .
H43 H 0.538128 0.679502 0.638664 0.036 Uiso 1 1 calc R U . . .
C69 C -0.1717(2) 0.53054(12) 0.68202(8) 0.0265(5) Uani 1 1 d . . . . .
H69 H -0.145002 0.496769 0.668968 0.032 Uiso 1 1 calc R U . . .
C57 C 0.3233(2) 0.77705(12) 0.97263(8) 0.0279(5) Uani 1 1 d . . . . .
C18 C -0.19907(19) 0.60987(11) 0.90619(7) 0.0233(5) Uani 1 1 d . . . . .
C54 C 0.23451(19) 0.75692(10) 0.88316(7) 0.0215(5) Uani 1 1 d . . . . .
C23 C -0.3251(2) 0.62658(14) 1.01016(9) 0.0381(7) Uani 1 1 d . . . . .
H23 H -0.318159 0.608269 1.037692 0.046 Uiso 1 1 calc R U . . .
C32 C 0.5311(2) 0.49823(11) 0.92635(8) 0.0271(5) Uani 1 1 d . . . . .
H32 H 0.563333 0.529204 0.945081 0.033 Uiso 1 1 calc R U . . .
C46 C 0.2471(2) 0.74790(12) 0.62808(8) 0.0286(5) Uani 1 1 d . . . . .
H46 H 0.174761 0.766149 0.625422 0.034 Uiso 1 1 calc R U . . .
C71 C -0.3235(2) 0.58387(12) 0.70824(9) 0.0305(6) Uani 1 1 d . . . . .
H71 H -0.399594 0.586057 0.712693 0.037 Uiso 1 1 calc R U . . .
C34 C 0.6817(2) 0.42940(12) 0.96676(8) 0.0273(5) Uani 1 1 d . . . . .
C22 C -0.2562(2) 0.60722(13) 0.98075(8) 0.0313(6) Uani 1 1 d . . . . .
H22 H -0.202761 0.576371 0.988982 0.038 Uiso 1 1 calc R U . . .
C53 C 0.18071(19) 0.74603(10) 0.83596(7) 0.0204(5) Uani 1 1 d . . . . .
C45 C 0.2953(2) 0.73890(12) 0.59096(8) 0.0315(6) Uani 1 1 d . . . . .
H45 H 0.253622 0.749870 0.563423 0.038 Uiso 1 1 calc R U . . .
C3 C 0.1110(2) 0.48081(11) 0.61660(8) 0.0266(5) Uani 1 1 d . . . . .
H3 H 0.059516 0.453456 0.625343 0.032 Uiso 1 1 calc R U . . .
C1 C 0.1669(2) 0.51502(11) 0.69498(7) 0.0231(5) Uani 1 1 d . . . . .
C15 C -0.07767(18) 0.56432(10) 0.84307(7) 0.0193(4) Uani 1 1 d . . . . .
C28 C 0.38694(19) 0.46429(11) 0.86552(7) 0.0202(5) Uani 1 1 d . . . . .
C56 C 0.2806(2) 0.72026(12) 0.95815(8) 0.0297(6) Uani 1 1 d . . . . .
H56 H 0.281407 0.688894 0.978302 0.036 Uiso 1 1 calc R U . . .
C47 C 0.4558(2) 0.70553(13) 0.55374(9) 0.0334(6) Uani 1 1 d . . . . .
C44 C 0.4054(2) 0.71368(12) 0.59401(8) 0.0280(5) Uani 1 1 d . . . . .
C78 C -0.4748(2) 0.48897(13) 0.64994(9) 0.0354(6) Uani 1 1 d . . . . .
H78 H -0.504518 0.527884 0.645205 0.042 Uiso 1 1 calc R U . . .
C73 C -0.3629(2) 0.48033(12) 0.67352(8) 0.0262(5) Uani 1 1 d . . . . .
C30 C 0.5248(2) 0.39389(11) 0.90471(8) 0.0243(5) Uani 1 1 d . . . . .
H30 H 0.554346 0.354834 0.908328 0.029 Uiso 1 1 calc R U . . .
C61 C 0.3112(3) 0.76273(14) 1.05217(9) 0.0412(7) Uani 1 1 d . . . . .
H61 H 0.246835 0.738125 1.043332 0.049 Uiso 1 1 calc R U . . .
C59 C 0.2794(2) 0.81325(11) 0.89752(8) 0.0276(5) Uani 1 1 d . . . . .
H59 H 0.279564 0.844481 0.877329 0.033 Uiso 1 1 calc R U . . .
C35 C 0.7760(2) 0.39821(13) 0.95663(9) 0.0346(6) Uani 1 1 d . . . . .
H35 H 0.771499 0.381256 0.928745 0.041 Uiso 1 1 calc R U . . .
C68 C -0.0980(2) 0.57853(11) 0.69478(8) 0.0259(5) Uani 1 1 d . . . . .
H68 H -0.022258 0.576895 0.689848 0.031 Uiso 1 1 calc R U . . .
C74 C -0.3217(2) 0.42164(12) 0.68121(9) 0.0346(6) Uani 1 1 d . . . . .
H74 H -0.247725 0.415124 0.697430 0.042 Uiso 1 1 calc R U . . .
C80 C -0.1436(2) 0.30035(13) 0.74558(10) 0.0378(6) Uani 1 1 d . . . . .
H80 H -0.210276 0.289253 0.755829 0.045 Uiso 1 1 calc R U . . .
C58 C 0.3235(2) 0.82279(12) 0.94173(8) 0.0314(6) Uani 1 1 d . . . . .
H58 H 0.353887 0.860451 0.950977 0.038 Uiso 1 1 calc R U . . .
C60 C 0.3665(2) 0.78857(13) 1.02046(8) 0.0330(6) Uani 1 1 d . . . . .
C21 C -0.2661(2) 0.63326(12) 0.93923(8) 0.0270(5) Uani 1 1 d . . . . .
C81 C -0.1023(3) 0.26535(12) 0.71491(10) 0.0384(7) Uani 1 1 d . . . . .
H81 H -0.141795 0.230704 0.703540 0.046 Uiso 1 1 calc R U . . .
C82 C -0.0018(3) 0.28240(13) 0.70137(10) 0.0388(7) Uani 1 1 d . . . . .
H82 H 0.028473 0.259084 0.681090 0.047 Uiso 1 1 calc R U . . .
C83 C 0.0534(2) 0.33465(12) 0.71832(9) 0.0326(6) Uani 1 1 d . . . . .
H83 H 0.121136 0.346217 0.708988 0.039 Uiso 1 1 calc R U . . .
C39 C 0.6904(2) 0.45346(13) 1.00913(8) 0.0335(6) Uani 1 1 d . . . . .
H39 H 0.628043 0.474469 1.016527 0.040 Uiso 1 1 calc R U . . .
C75 C -0.3905(3) 0.37270(14) 0.66480(10) 0.0418(7) Uani 1 1 d . . . . .
H75 H -0.362400 0.333569 0.670156 0.050 Uiso 1 1 calc R U . . .
C85 C -0.1481(2) 0.92329(13) 0.69362(9) 0.0349(6) Uani 1 1 d . . . . .
H85 H -0.217571 0.926902 0.673631 0.042 Uiso 1 1 calc R U . . .
C65 C 0.4627(3) 0.82527(16) 1.03445(10) 0.0458(8) Uani 1 1 d . . . . .
H65 H 0.500597 0.843058 1.013731 0.055 Uiso 1 1 calc R U . . .
C4 C 0.1230(2) 0.48378(14) 0.57277(9) 0.0388(7) Uani 1 1 d . . . . .
H4 H 0.077477 0.459063 0.552082 0.047 Uiso 1 1 calc R U . . .
C62 C 0.3510(3) 0.77327(17) 1.09695(10) 0.0544(9) Uani 1 1 d . . . . .
H62 H 0.313273 0.756120 1.117957 0.065 Uiso 1 1 calc R U . . .
C2S C -0.0337(4) 0.35671(19) 0.87624(11) 0.0577(10) Uani 1 1 d . . . . .
C5 C 0.2016(3) 0.52287(17) 0.55921(9) 0.0470(8) Uani 1 1 d . . . . .
C51 C 0.4771(3) 0.73927(19) 0.48095(11) 0.0573(10) Uani 1 1 d . . . . .
H51 H 0.461607 0.767787 0.458451 0.069 Uiso 1 1 calc R U . . .
C38 C 0.7908(3) 0.44635(14) 1.04023(10) 0.0436(7) Uani 1 1 d . . . . .
H38 H 0.794953 0.462123 1.068465 0.052 Uiso 1 1 calc R U . . .
C52 C 0.4319(3) 0.74693(16) 0.51910(10) 0.0471(8) Uani 1 1 d . . . . .
H52 H 0.384974 0.780137 0.521622 0.057 Uiso 1 1 calc R U . . .
C64 C 0.5022(3) 0.83538(18) 1.07902(11) 0.0600(10) Uani 1 1 d . . . . .
H64 H 0.566579 0.859918 1.088067 0.072 Uiso 1 1 calc R U . . .
C50 C 0.5441(3) 0.6904(2) 0.47615(11) 0.0593(11) Uani 1 1 d . . . . .
H50 H 0.572799 0.685106 0.450235 0.071 Uiso 1 1 calc R U . . .
C48 C 0.5256(2) 0.65609(15) 0.54884(10) 0.0424(7) Uani 1 1 d . . . . .
H48 H 0.543491 0.627928 0.571487 0.051 Uiso 1 1 calc R U . . .
C37 C 0.8842(3) 0.41619(15) 1.02973(11) 0.0481(8) Uani 1 1 d . . . . .
H37 H 0.951877 0.411980 1.050628 0.058 Uiso 1 1 calc R U . . .
C49 C 0.5691(3) 0.64878(19) 0.50972(12) 0.0581(10) Uani 1 1 d . . . . .
H49 H 0.615168 0.615503 0.506457 0.070 Uiso 1 1 calc R U . . .
C13 C 0.3460(7) 0.5187(4) 0.5074(2) 0.069(2) Uani 0.542(4) 1 d . . P A 1
H13 H 0.400919 0.534691 0.530163 0.083 Uiso 0.542(4) 1 calc R U P A 1
C12 C 0.3763(7) 0.5080(4) 0.4663(2) 0.079(3) Uani 0.542(4) 1 d . . P A 1
H12 H 0.450337 0.517259 0.461648 0.095 Uiso 0.542(4) 1 calc R U P A 1
C11 C 0.2960(7) 0.4838(4) 0.4330(2) 0.065(2) Uani 0.542(4) 1 d . . P A 1
H11 H 0.314754 0.477280 0.405308 0.078 Uiso 0.542(4) 1 calc R U P A 1
C10 C 0.1913(7) 0.4695(4) 0.44030(17) 0.0506(17) Uani 0.542(4) 1 d . . P A 1
H10 H 0.137972 0.451866 0.417772 0.061 Uiso 0.542(4) 1 calc R U P A 1
C9 C 0.1600(7) 0.4803(3) 0.48029(19) 0.0374(15) Uani 0.542(4) 1 d . . P A 1
H9 H 0.085698 0.470039 0.484213 0.045 Uiso 0.542(4) 1 calc R U P A 1
C8 C 0.2359(5) 0.5060(3) 0.51485(16) 0.0354(13) Uani 0.542(4) 1 d . . P A 1
C63 C 0.4474(3) 0.80955(18) 1.10986(10) 0.0606(11) Uani 1 1 d . . . . .
H63 H 0.474995 0.816427 1.139727 0.073 Uiso 1 1 calc R U . . .
C7 C 0.2508(2) 0.56037(12) 0.63375(8) 0.0291(5) Uani 1 1 d . . . . .
H7 H 0.292071 0.587187 0.654009 0.035 Uiso 1 1 calc R U . . .
C24 C -0.4034(3) 0.67271(16) 0.99873(10) 0.0479(8) Uani 1 1 d . . . . .
H24 H -0.449796 0.685513 1.018374 0.057 Uiso 1 1 calc R U . . .
C77 C -0.5425(2) 0.43946(15) 0.63343(9) 0.0409(7) Uani 1 1 d . . . . .
H77 H -0.616874 0.445505 0.617402 0.049 Uiso 1 1 calc R U . . .
C88 C 0.0529(2) 0.90962(11) 0.75185(8) 0.0256(5) Uani 1 1 d . . . . .
H88 H 0.121926 0.905167 0.771992 0.031 Uiso 1 1 calc R U . . .
C86 C -0.0887(2) 0.97411(12) 0.71076(9) 0.0350(6) Uani 1 1 d . . . . .
H86 H -0.117159 1.012462 0.702452 0.042 Uiso 1 1 calc R U . . .
N1S N -0.1236(3) 0.33690(16) 0.86728(10) 0.0667(9) Uani 1 1 d . . . . .
C26 C -0.3454(3) 0.68013(15) 0.92849(10) 0.0431(7) Uani 1 1 d . . . . .
H26 H -0.353270 0.698503 0.900945 0.052 Uiso 1 1 calc R U . . .
C1S C 0.0806(4) 0.3837(2) 0.88777(15) 0.0792(13) Uani 1 1 d . . . . .
H1SA H 0.125765 0.371957 0.866180 0.119 Uiso 1 1 d R U . . .
H1SB H 0.118015 0.369887 0.916410 0.119 Uiso 1 1 d R U . . .
H1SC H 0.073645 0.426907 0.888040 0.119 Uiso 1 1 d R U . . .
C6 C 0.2639(2) 0.56208(14) 0.59025(9) 0.0370(6) Uani 1 1 d . . . . .
H6 H 0.314898 0.589717 0.581496 0.044 Uiso 1 1 calc R U . . .
C87 C 0.0136(2) 0.96713(12) 0.74044(9) 0.0316(6) Uani 1 1 d . . . . .
H87 H 0.055389 1.000723 0.752570 0.038 Uiso 1 1 calc R U . . .
C25 C -0.4127(3) 0.69980(17) 0.95798(11) 0.0550(9) Uani 1 1 d . . . . .
H25 H -0.464477 0.731511 0.950309 0.066 Uiso 1 1 calc R U . . .
C8A C 0.2048(5) 0.5419(3) 0.51152(18) 0.0272(13) Uiso 0.458(4) 1 d . . P A 2
C13A C 0.2277(5) 0.5981(3) 0.4963(2) 0.0380(15) Uiso 0.458(4) 1 d . . P A 2
H13A H 0.234232 0.631388 0.515039 0.046 Uiso 0.458(4) 1 calc R U P A 2
C12A C 0.2409(7) 0.6047(4) 0.4531(3) 0.055(2) Uiso 0.458(4) 1 d . . P A 2
H12A H 0.256014 0.642859 0.442872 0.066 Uiso 0.458(4) 1 calc R U P A 2
C11A C 0.2322(7) 0.5562(4) 0.4245(3) 0.056(2) Uiso 0.458(4) 1 d . . P A 2
H11A H 0.243473 0.561550 0.395682 0.067 Uiso 0.458(4) 1 calc R U P A 2
C10A C 0.2072(8) 0.5009(4) 0.4389(3) 0.051(2) Uiso 0.458(4) 1 d . . P A 2
H10A H 0.196654 0.468336 0.419391 0.062 Uiso 0.458(4) 1 calc R U P A 2
C9A C 0.1971(7) 0.4924(4) 0.4840(3) 0.037(2) Uiso 0.458(4) 1 d . . P A 2
H9A H 0.185366 0.454019 0.494647 0.044 Uiso 0.458(4) 1 calc R U P A 2
N2S N -0.0744(11) 0.3680(6) 0.6104(4) 0.147(4) Uiso 0.5 1 d . . P B 1
C3S C -0.1479(9) 0.3585(4) 0.5821(3) 0.081(3) Uiso 0.5 1 d . . P B 1
C4S C -0.2413(13) 0.3492(7) 0.5522(5) 0.151(5) Uiso 0.5 1 d . . P B 1
H4SA H -0.220734 0.337695 0.524640 0.226 Uiso 0.5 1 d R U P B 1
H4SB H -0.290724 0.384065 0.547890 0.226 Uiso 0.5 1 d R U P B 1
H4SC H -0.281454 0.316375 0.563230 0.226 Uiso 0.5 1 d R U P B 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O15 2.4923(16) . ?
Eu1 O7 2.3550(16) . ?
Eu1 O11 2.4116(16) . ?
Eu1 O6 2.3606(16) . ?
Eu1 O4 2.3554(16) . ?
Eu1 O13 2.5031(17) . ?
Eu1 O9 2.3180(15) . ?
Eu1 N3 2.922(2) . ?
Eu1 O2 2.3007(16) . ?
Zn2 O10 1.9722(16) . ?
Zn2 O8 1.9666(16) . ?
Zn2 N2 2.0405(19) . ?
Zn2 O12 2.0309(17) . ?
Zn1 O3 1.9592(16) . ?
Zn1 O1 1.9477(16) . ?
Zn1 N1 2.051(2) . ?
Zn1 O5 1.9522(16) . ?
O15 N3 1.267(3) . ?
O3 C14 1.273(3) . ?
O7 C40 1.262(3) . ?
O11 C66 1.257(3) . ?
O10 C53 1.267(3) . ?
O6 C27 1.244(3) . ?
O8 C40 1.265(3) . ?
O4 C14 1.246(3) . ?
O13 N3 1.268(3) . ?
O9 C53 1.255(3) . ?
O1 C1 1.264(3) . ?
N1 C79 1.333(3) . ?
N1 C83 1.339(3) . ?
C40 C41 1.496(3) . ?
O5 C27 1.266(3) . ?
N3 O14 1.219(3) . ?
O2 C1 1.249(3) . ?
N2 C84 1.343(3) . ?
N2 C88 1.338(3) . ?
O12 C66 1.271(3) . ?
C2 C3 1.391(3) . ?
C2 C1 1.491(3) . ?
C2 C7 1.385(3) . ?
C76 H76 0.9300 . ?
C76 C75 1.376(4) . ?
C76 C77 1.371(4) . ?
C55 H55 0.9300 . ?
C55 C54 1.389(3) . ?
C55 C56 1.387(3) . ?
C17 H17 0.9300 . ?
C17 C16 1.376(3) . ?
C17 C18 1.396(3) . ?
C14 C15 1.496(3) . ?
C70 C69 1.394(3) . ?
C70 C71 1.399(4) . ?
C70 C73 1.483(3) . ?
C66 C67 1.485(3) . ?
C41 C42 1.391(3) . ?
C41 C46 1.389(3) . ?
C33 H33 0.9300 . ?
C33 C32 1.385(3) . ?
C33 C28 1.384(3) . ?
C19 H19 0.9300 . ?
C19 C20 1.386(3) . ?
C19 C18 1.391(3) . ?
C42 H42 0.9300 . ?
C42 C43 1.383(3) . ?
C31 C32 1.394(3) . ?
C31 C34 1.488(3) . ?
C31 C30 1.395(3) . ?
C27 C28 1.501(3) . ?
C79 H79 0.9300 . ?
C79 C80 1.375(4) . ?
C67 C72 1.387(3) . ?
C67 C68 1.382(3) . ?
C16 H16 0.9300 . ?
C16 C15 1.393(3) . ?
C29 H29 0.9300 . ?
C29 C28 1.390(3) . ?
C29 C30 1.388(3) . ?
C72 H72 0.9300 . ?
C72 C71 1.385(4) . ?
C20 H20 0.9300 . ?
C20 C15 1.389(3) . ?
C84 H84 0.9300 . ?
C84 C85 1.384(4) . ?
C36 H36 0.9300 . ?
C36 C35 1.393(4) . ?
C36 C37 1.380(5) . ?
C43 H43 0.9300 . ?
C43 C44 1.398(4) . ?
C69 H69 0.9300 . ?
C69 C68 1.380(3) . ?
C57 C56 1.395(4) . ?
C57 C58 1.389(4) . ?
C57 C60 1.489(3) . ?
C18 C21 1.490(3) . ?
C54 C53 1.494(3) . ?
C54 C59 1.393(3) . ?
C23 H23 0.9300 . ?
C23 C22 1.389(4) . ?
C23 C24 1.375(4) . ?
C32 H32 0.9300 . ?
C46 H46 0.9300 . ?
C46 C45 1.381(3) . ?
C71 H71 0.9300 . ?
C34 C35 1.388(4) . ?
C34 C39 1.396(4) . ?
C22 H22 0.9300 . ?
C22 C21 1.388(4) . ?
C45 H45 0.9300 . ?
C45 C44 1.395(4) . ?
C3 H3 0.9300 . ?
C3 C4 1.385(3) . ?
C56 H56 0.9300 . ?
C47 C44 1.481(3) . ?
C47 C52 1.395(4) . ?
C47 C48 1.392(4) . ?
C78 H78 0.9300 . ?
C78 C73 1.392(3) . ?
C78 C77 1.392(4) . ?
C73 C74 1.390(4) . ?
C30 H30 0.9300 . ?
C61 H61 0.9300 . ?
C61 C60 1.392(4) . ?
C61 C62 1.392(4) . ?
C59 H59 0.9300 . ?
C59 C58 1.381(3) . ?
C35 H35 0.9300 . ?
C68 H68 0.9300 . ?
C74 H74 0.9300 . ?
C74 C75 1.388(4) . ?
C80 H80 0.9300 . ?
C80 C81 1.377(4) . ?
C58 H58 0.9300 . ?
C60 C65 1.393(4) . ?
C21 C26 1.392(4) . ?
C81 H81 0.9300 . ?
C81 C82 1.375(4) . ?
C82 H82 0.9300 . ?
C82 C83 1.380(4) . ?
C83 H83 0.9300 . ?
C39 H39 0.9300 . ?
C39 C38 1.383(4) . ?
C75 H75 0.9300 . ?
C85 H85 0.9300 . ?
C85 C86 1.376(4) . ?
C65 H65 0.9300 . ?
C65 C64 1.384(4) . ?
C4 H4 0.9300 . ?
C4 C5 1.384(4) . ?
C62 H62 0.9300 . ?
C62 C63 1.384(5) . ?
C2S N1S 1.129(5) . ?
C2S C1S 1.451(6) . ?
C5 C8 1.541(6) . ?
C5 C6 1.394(4) . ?
C5 C8A 1.536(6) . ?
C51 H51 0.9300 . ?
C51 C52 1.387(4) . ?
C51 C50 1.361(5) . ?
C38 H38 0.9300 . ?
C38 C37 1.373(5) . ?
C52 H52 0.9300 . ?
C64 H64 0.9300 . ?
C64 C63 1.368(5) . ?
C50 H50 0.9300 . ?
C50 C49 1.375(5) . ?
C48 H48 0.9300 . ?
C48 C49 1.402(4) . ?
C37 H37 0.9300 . ?
C49 H49 0.9300 . ?
C13 H13 0.9300 . ?
C13 C12 1.397(8) . ?
C13 C8 1.383(8) . ?
C12 H12 0.9300 . ?
C12 C11 1.368(10) . ?
C11 H11 0.9300 . ?
C11 C10 1.329(10) . ?
C10 H10 0.9300 . ?
C10 C9 1.370(8) . ?
C9 H9 0.9300 . ?
C9 C8 1.378(8) . ?
C63 H63 0.9300 . ?
C7 H7 0.9300 . ?
C7 C6 1.378(4) . ?
C24 H24 0.9300 . ?
C24 C25 1.377(5) . ?
C77 H77 0.9300 . ?
C88 H88 0.9300 . ?
C88 C87 1.377(3) . ?
C86 H86 0.9300 . ?
C86 C87 1.377(4) . ?
C26 H26 0.9300 . ?
C26 C25 1.379(4) . ?
C1S H1SA 0.9601 . ?
C1S H1SB 0.9599 . ?
C1S H1SC 0.9601 . ?
C6 H6 0.9300 . ?
C87 H87 0.9300 . ?
C25 H25 0.9300 . ?
C8A C13A 1.371(9) . ?
C8A C9A 1.377(11) . ?
C13A H13A 0.9300 . ?
C13A C12A 1.377(10) . ?
C12A H12A 0.9300 . ?
C12A C11A 1.378(11) . ?
C11A H11A 0.9300 . ?
C11A C10A 1.352(11) . ?
C10A H10A 0.9300 . ?
C10A C9A 1.430(14) . ?
C9A H9A 0.9300 . ?
N2S C3S 1.126(13) . ?
C3S C4S 1.312(15) . ?
C4S H4SA 0.9601 . ?
C4S H4SB 0.9602 . ?
C4S H4SC 0.9599 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O15 Eu1 O13 51.09(6) . . ?
O15 Eu1 N3 25.52(6) . . ?
O7 Eu1 O15 77.17(6) . . ?
O7 Eu1 O11 70.46(5) . . ?
O7 Eu1 O6 147.67(6) . . ?
O7 Eu1 O4 140.91(5) . . ?
O7 Eu1 O13 72.87(6) . . ?
O7 Eu1 N3 73.34(6) . . ?
O11 Eu1 O15 139.19(6) . . ?
O11 Eu1 O13 134.39(6) . . ?
O11 Eu1 N3 143.78(6) . . ?
O6 Eu1 O15 77.61(6) . . ?
O6 Eu1 O11 140.45(6) . . ?
O6 Eu1 O13 75.62(6) . . ?
O6 Eu1 N3 75.17(6) . . ?
O4 Eu1 O15 131.56(5) . . ?
O4 Eu1 O11 71.21(5) . . ?
O4 Eu1 O6 71.40(6) . . ?
O4 Eu1 O13 143.92(6) . . ?
O4 Eu1 N3 144.67(6) . . ?
O13 Eu1 N3 25.57(6) . . ?
O9 Eu1 O15 75.00(6) . . ?
O9 Eu1 O7 85.76(6) . . ?
O9 Eu1 O11 78.41(6) . . ?
O9 Eu1 O6 106.77(6) . . ?
O9 Eu1 O4 79.41(6) . . ?
O9 Eu1 O13 124.78(6) . . ?
O9 Eu1 N3 99.91(6) . . ?
O2 Eu1 O15 124.20(6) . . ?
O2 Eu1 O7 94.66(6) . . ?
O2 Eu1 O11 83.31(6) . . ?
O2 Eu1 O6 83.13(6) . . ?
O2 Eu1 O4 88.23(6) . . ?
O2 Eu1 O13 73.55(6) . . ?
O2 Eu1 O9 160.45(6) . . ?
O2 Eu1 N3 98.92(6) . . ?
O10 Zn2 N2 101.87(7) . . ?
O10 Zn2 O12 120.93(7) . . ?
O8 Zn2 O10 111.30(7) . . ?
O8 Zn2 N2 97.54(7) . . ?
O8 Zn2 O12 120.80(7) . . ?
O12 Zn2 N2 97.21(8) . . ?
O3 Zn1 N1 100.81(8) . . ?
O1 Zn1 O3 130.82(7) . . ?
O1 Zn1 N1 93.67(8) . . ?
O1 Zn1 O5 114.15(7) . . ?
O5 Zn1 O3 105.28(7) . . ?
O5 Zn1 N1 108.39(7) . . ?
N3 O15 Eu1 96.54(13) . . ?
C14 O3 Zn1 117.44(15) . . ?
C40 O7 Eu1 138.80(15) . . ?
C66 O11 Eu1 136.22(15) . . ?
C53 O10 Zn2 117.68(15) . . ?
C27 O6 Eu1 156.62(16) . . ?
C40 O8 Zn2 120.01(15) . . ?
C14 O4 Eu1 151.93(14) . . ?
N3 O13 Eu1 96.00(13) . . ?
C53 O9 Eu1 137.46(15) . . ?
C1 O1 Zn1 127.38(15) . . ?
C79 N1 Zn1 121.98(17) . . ?
C79 N1 C83 118.0(2) . . ?
C83 N1 Zn1 119.73(17) . . ?
O7 C40 O8 124.5(2) . . ?
O7 C40 C41 118.6(2) . . ?
O8 C40 C41 116.9(2) . . ?
C27 O5 Zn1 118.91(15) . . ?
O15 N3 Eu1 57.94(11) . . ?
O15 N3 O13 116.37(19) . . ?
O13 N3 Eu1 58.43(11) . . ?
O14 N3 Eu1 179.7(2) . . ?
O14 N3 O15 122.3(2) . . ?
O14 N3 O13 121.3(2) . . ?
C1 O2 Eu1 151.44(16) . . ?
C84 N2 Zn2 122.27(17) . . ?
C88 N2 Zn2 119.41(16) . . ?
C88 N2 C84 118.2(2) . . ?
C66 O12 Zn2 102.69(15) . . ?
C3 C2 C1 120.3(2) . . ?
C7 C2 C3 119.5(2) . . ?
C7 C2 C1 120.3(2) . . ?
C75 C76 H76 120.0 . . ?
C77 C76 H76 120.0 . . ?
C77 C76 C75 120.0(3) . . ?
C54 C55 H55 119.6 . . ?
C56 C55 H55 119.6 . . ?
C56 C55 C54 120.7(2) . . ?
C16 C17 H17 119.6 . . ?
C16 C17 C18 120.7(2) . . ?
C18 C17 H17 119.6 . . ?
O3 C14 C15 117.7(2) . . ?
O4 C14 O3 123.6(2) . . ?
O4 C14 C15 118.7(2) . . ?
C69 C70 C71 118.3(2) . . ?
C69 C70 C73 118.6(2) . . ?
C71 C70 C73 123.1(2) . . ?
O11 C66 O12 120.2(2) . . ?
O11 C66 C67 119.0(2) . . ?
O12 C66 C67 120.8(2) . . ?
C42 C41 C40 121.1(2) . . ?
C46 C41 C40 119.8(2) . . ?
C46 C41 C42 119.0(2) . . ?
C32 C33 H33 119.9 . . ?
C28 C33 H33 119.9 . . ?
C28 C33 C32 120.3(2) . . ?
C20 C19 H19 119.6 . . ?
C20 C19 C18 120.8(2) . . ?
C18 C19 H19 119.6 . . ?
C41 C42 H42 119.8 . . ?
C43 C42 C41 120.4(2) . . ?
C43 C42 H42 119.8 . . ?
C32 C31 C34 119.2(2) . . ?
C32 C31 C30 118.7(2) . . ?
C30 C31 C34 122.0(2) . . ?
O6 C27 O5 124.5(2) . . ?
O6 C27 C28 118.2(2) . . ?
O5 C27 C28 117.3(2) . . ?
N1 C79 H79 118.5 . . ?
N1 C79 C80 123.0(3) . . ?
C80 C79 H79 118.5 . . ?
C72 C67 C66 123.1(2) . . ?
C68 C67 C66 117.7(2) . . ?
C68 C67 C72 119.1(2) . . ?
C17 C16 H16 119.6 . . ?
C17 C16 C15 120.8(2) . . ?
C15 C16 H16 119.6 . . ?
C28 C29 H29 120.1 . . ?
C30 C29 H29 120.1 . . ?
C30 C29 C28 119.9(2) . . ?
C67 C72 H72 119.9 . . ?
C71 C72 C67 120.2(2) . . ?
C71 C72 H72 119.9 . . ?
C19 C20 H20 119.8 . . ?
C19 C20 C15 120.5(2) . . ?
C15 C20 H20 119.8 . . ?
N2 C84 H84 119.1 . . ?
N2 C84 C85 121.8(2) . . ?
C85 C84 H84 119.1 . . ?
C35 C36 H36 119.8 . . ?
C37 C36 H36 119.8 . . ?
C37 C36 C35 120.4(3) . . ?
C42 C43 H43 119.5 . . ?
C42 C43 C44 121.0(2) . . ?
C44 C43 H43 119.5 . . ?
C70 C69 H69 119.8 . . ?
C68 C69 C70 120.4(2) . . ?
C68 C69 H69 119.8 . . ?
C56 C57 C60 120.5(2) . . ?
C58 C57 C56 118.8(2) . . ?
C58 C57 C60 120.7(2) . . ?
C17 C18 C21 120.1(2) . . ?
C19 C18 C17 118.5(2) . . ?
C19 C18 C21 121.4(2) . . ?
C55 C54 C53 119.5(2) . . ?
C55 C54 C59 119.1(2) . . ?
C59 C54 C53 121.4(2) . . ?
C22 C23 H23 119.9 . . ?
C24 C23 H23 119.9 . . ?
C24 C23 C22 120.3(3) . . ?
C33 C32 C31 120.6(2) . . ?
C33 C32 H32 119.7 . . ?
C31 C32 H32 119.7 . . ?
C41 C46 H46 119.8 . . ?
C45 C46 C41 120.4(2) . . ?
C45 C46 H46 119.8 . . ?
C70 C71 H71 119.6 . . ?
C72 C71 C70 120.9(2) . . ?
C72 C71 H71 119.6 . . ?
C35 C34 C31 120.6(2) . . ?
C35 C34 C39 118.5(2) . . ?
C39 C34 C31 120.8(2) . . ?
C23 C22 H22 119.5 . . ?
C21 C22 C23 120.9(3) . . ?
C21 C22 H22 119.5 . . ?
O10 C53 C54 118.4(2) . . ?
O9 C53 O10 123.2(2) . . ?
O9 C53 C54 118.3(2) . . ?
C46 C45 H45 119.4 . . ?
C46 C45 C44 121.2(2) . . ?
C44 C45 H45 119.4 . . ?
C2 C3 H3 120.1 . . ?
C4 C3 C2 119.7(2) . . ?
C4 C3 H3 120.1 . . ?
O1 C1 C2 117.5(2) . . ?
O2 C1 O1 124.5(2) . . ?
O2 C1 C2 118.0(2) . . ?
C16 C15 C14 121.0(2) . . ?
C20 C15 C14 120.3(2) . . ?
C20 C15 C16 118.8(2) . . ?
C33 C28 C27 119.1(2) . . ?
C33 C28 C29 119.8(2) . . ?
C29 C28 C27 121.1(2) . . ?
C55 C56 C57 120.1(2) . . ?
C55 C56 H56 120.0 . . ?
C57 C56 H56 120.0 . . ?
C52 C47 C44 120.4(3) . . ?
C48 C47 C44 121.4(3) . . ?
C48 C47 C52 118.2(3) . . ?
C43 C44 C47 122.0(2) . . ?
C45 C44 C43 117.9(2) . . ?
C45 C44 C47 120.1(2) . . ?
C73 C78 H78 119.9 . . ?
C73 C78 C77 120.1(3) . . ?
C77 C78 H78 119.9 . . ?
C78 C73 C70 121.2(2) . . ?
C74 C73 C70 119.9(2) . . ?
C74 C73 C78 118.8(2) . . ?
C31 C30 H30 119.7 . . ?
C29 C30 C31 120.7(2) . . ?
C29 C30 H30 119.7 . . ?
C60 C61 H61 119.6 . . ?
C60 C61 C62 120.8(3) . . ?
C62 C61 H61 119.6 . . ?
C54 C59 H59 120.0 . . ?
C58 C59 C54 120.1(2) . . ?
C58 C59 H59 120.0 . . ?
C36 C35 H35 119.8 . . ?
C34 C35 C36 120.4(3) . . ?
C34 C35 H35 119.8 . . ?
C67 C68 H68 119.5 . . ?
C69 C68 C67 121.1(2) . . ?
C69 C68 H68 119.5 . . ?
C73 C74 H74 119.8 . . ?
C75 C74 C73 120.4(3) . . ?
C75 C74 H74 119.8 . . ?
C79 C80 H80 120.7 . . ?
C79 C80 C81 118.7(3) . . ?
C81 C80 H80 120.7 . . ?
C57 C58 H58 119.4 . . ?
C59 C58 C57 121.1(2) . . ?
C59 C58 H58 119.4 . . ?
C61 C60 C57 120.5(3) . . ?
C61 C60 C65 118.6(3) . . ?
C65 C60 C57 120.9(3) . . ?
C22 C21 C18 121.4(2) . . ?
C22 C21 C26 117.8(2) . . ?
C26 C21 C18 120.7(2) . . ?
C80 C81 H81 120.5 . . ?
C82 C81 C80 119.0(3) . . ?
C82 C81 H81 120.5 . . ?
C81 C82 H82 120.5 . . ?
C81 C82 C83 119.0(3) . . ?
C83 C82 H82 120.5 . . ?
N1 C83 C82 122.4(3) . . ?
N1 C83 H83 118.8 . . ?
C82 C83 H83 118.8 . . ?
C34 C39 H39 119.7 . . ?
C38 C39 C34 120.7(3) . . ?
C38 C39 H39 119.7 . . ?
C76 C75 C74 120.3(3) . . ?
C76 C75 H75 119.9 . . ?
C74 C75 H75 119.9 . . ?
C84 C85 H85 120.3 . . ?
C86 C85 C84 119.5(2) . . ?
C86 C85 H85 120.3 . . ?
C60 C65 H65 119.8 . . ?
C64 C65 C60 120.3(3) . . ?
C64 C65 H65 119.8 . . ?
C3 C4 H4 119.4 . . ?
C5 C4 C3 121.2(2) . . ?
C5 C4 H4 119.4 . . ?
C61 C62 H62 120.4 . . ?
C63 C62 C61 119.2(3) . . ?
C63 C62 H62 120.4 . . ?
N1S C2S C1S 178.5(4) . . ?
C4 C5 C8 114.5(3) . . ?
C4 C5 C6 118.4(2) . . ?
C4 C5 C8A 126.6(3) . . ?
C6 C5 C8 124.7(3) . . ?
C6 C5 C8A 112.5(3) . . ?
C52 C51 H51 119.7 . . ?
C50 C51 H51 119.7 . . ?
C50 C51 C52 120.6(4) . . ?
C39 C38 H38 119.8 . . ?
C37 C38 C39 120.5(3) . . ?
C37 C38 H38 119.8 . . ?
C47 C52 H52 119.5 . . ?
C51 C52 C47 120.9(3) . . ?
C51 C52 H52 119.5 . . ?
C65 C64 H64 119.8 . . ?
C63 C64 C65 120.5(3) . . ?
C63 C64 H64 119.8 . . ?
C51 C50 H50 120.1 . . ?
C51 C50 C49 119.8(3) . . ?
C49 C50 H50 120.1 . . ?
C47 C48 H48 120.0 . . ?
C47 C48 C49 119.9(3) . . ?
C49 C48 H48 120.0 . . ?
C36 C37 H37 120.2 . . ?
C38 C37 C36 119.6(3) . . ?
C38 C37 H37 120.2 . . ?
C50 C49 C48 120.6(3) . . ?
C50 C49 H49 119.7 . . ?
C48 C49 H49 119.7 . . ?
C12 C13 H13 119.4 . . ?
C8 C13 H13 119.4 . . ?
C8 C13 C12 121.2(6) . . ?
C13 C12 H12 120.3 . . ?
C11 C12 C13 119.5(7) . . ?
C11 C12 H12 120.3 . . ?
C12 C11 H11 120.1 . . ?
C10 C11 C12 119.7(6) . . ?
C10 C11 H11 120.1 . . ?
C11 C10 H10 119.3 . . ?
C11 C10 C9 121.5(7) . . ?
C9 C10 H10 119.3 . . ?
C10 C9 H9 119.2 . . ?
C10 C9 C8 121.6(7) . . ?
C8 C9 H9 119.2 . . ?
C13 C8 C5 120.2(4) . . ?
C9 C8 C5 123.2(5) . . ?
C9 C8 C13 116.5(6) . . ?
C62 C63 H63 119.7 . . ?
C64 C63 C62 120.5(3) . . ?
C64 C63 H63 119.7 . . ?
C2 C7 H7 119.8 . . ?
C6 C7 C2 120.4(2) . . ?
C6 C7 H7 119.8 . . ?
C23 C24 H24 120.3 . . ?
C23 C24 C25 119.5(3) . . ?
C25 C24 H24 120.3 . . ?
C76 C77 C78 120.4(3) . . ?
C76 C77 H77 119.8 . . ?
C78 C77 H77 119.8 . . ?
N2 C88 H88 118.6 . . ?
N2 C88 C87 122.9(2) . . ?
C87 C88 H88 118.6 . . ?
C85 C86 H86 120.6 . . ?
C85 C86 C87 118.8(2) . . ?
C87 C86 H86 120.6 . . ?
C21 C26 H26 119.4 . . ?
C25 C26 C21 121.1(3) . . ?
C25 C26 H26 119.4 . . ?
C2S C1S H1SA 108.9 . . ?
C2S C1S H1SB 109.9 . . ?
C2S C1S H1SC 109.6 . . ?
H1SA C1S H1SB 109.5 . . ?
H1SA C1S H1SC 109.5 . . ?
H1SB C1S H1SC 109.5 . . ?
C5 C6 H6 119.6 . . ?
C7 C6 C5 120.8(3) . . ?
C7 C6 H6 119.6 . . ?
C88 C87 H87 120.5 . . ?
C86 C87 C88 118.9(3) . . ?
C86 C87 H87 120.5 . . ?
C24 C25 C26 120.3(3) . . ?
C24 C25 H25 119.8 . . ?
C26 C25 H25 119.8 . . ?
C13A C8A C5 128.0(5) . . ?
C13A C8A C9A 120.3(6) . . ?
C9A C8A C5 111.1(6) . . ?
C8A C13A H13A 120.3 . . ?
C8A C13A C12A 119.4(7) . . ?
C12A C13A H13A 120.3 . . ?
C13A C12A H12A 119.1 . . ?
C13A C12A C11A 121.8(8) . . ?
C11A C12A H12A 119.1 . . ?
C12A C11A H11A 120.3 . . ?
C10A C11A C12A 119.4(8) . . ?
C10A C11A H11A 120.3 . . ?
C11A C10A H10A 120.1 . . ?
C11A C10A C9A 119.8(9) . . ?
C9A C10A H10A 120.1 . . ?
C8A C9A C10A 119.2(8) . . ?
C8A C9A H9A 120.4 . . ?
C10A C9A H9A 120.4 . . ?
N2S C3S C4S 173.6(14) . . ?
C3S C4S H4SA 110.4 . . ?
C3S C4S H4SB 112.1 . . ?
C3S C4S H4SC 105.8 . . ?
H4SA C4S H4SB 109.5 . . ?
H4SA C4S H4SC 109.5 . . ?
H4SB C4S H4SC 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 O15 N3 O13 -0.1(2) . . . . ?
Eu1 O15 N3 O14 179.8(2) . . . . ?
Eu1 O7 C40 O8 70.6(3) . . . . ?
Eu1 O7 C40 C41 -108.1(2) . . . . ?
Eu1 O11 C66 O12 96.3(3) . . . . ?
Eu1 O11 C66 C67 -85.1(3) . . . . ?
Eu1 O6 C27 O5 -49.1(5) . . . . ?
Eu1 O6 C27 C28 132.0(3) . . . . ?
Eu1 O4 C14 O3 -75.1(4) . . . . ?
Eu1 O4 C14 C15 105.2(3) . . . . ?
Eu1 O13 N3 O15 0.1(2) . . . . ?
Eu1 O13 N3 O14 -179.8(2) . . . . ?
Eu1 O9 C53 O10 70.0(3) . . . . ?
Eu1 O9 C53 C54 -112.4(2) . . . . ?
Eu1 O2 C1 O1 -41.2(5) . . . . ?
Eu1 O2 C1 C2 139.3(3) . . . . ?
Zn2 O10 C53 O9 5.8(3) . . . . ?
Zn2 O10 C53 C54 -171.75(15) . . . . ?
Zn2 O8 C40 O7 -11.8(3) . . . . ?
Zn2 O8 C40 C41 166.93(15) . . . . ?
Zn2 N2 C84 C85 -175.10(19) . . . . ?
Zn2 N2 C88 C87 175.03(19) . . . . ?
Zn2 O12 C66 O11 4.9(2) . . . . ?
Zn2 O12 C66 C67 -173.75(17) . . . . ?
Zn1 O3 C14 O4 10.2(3) . . . . ?
Zn1 O3 C14 C15 -170.09(14) . . . . ?
Zn1 O1 C1 O2 -3.1(3) . . . . ?
Zn1 O1 C1 C2 176.38(15) . . . . ?
Zn1 N1 C79 C80 174.0(2) . . . . ?
Zn1 N1 C83 C82 -173.6(2) . . . . ?
Zn1 O5 C27 O6 -9.3(3) . . . . ?
Zn1 O5 C27 C28 169.64(14) . . . . ?
O3 C14 C15 C16 11.3(3) . . . . ?
O3 C14 C15 C20 -169.7(2) . . . . ?
O7 C40 C41 C42 -20.9(3) . . . . ?
O7 C40 C41 C46 156.8(2) . . . . ?
O11 C66 C67 C72 168.3(2) . . . . ?
O11 C66 C67 C68 -10.0(3) . . . . ?
O6 C27 C28 C33 6.5(3) . . . . ?
O6 C27 C28 C29 -171.6(2) . . . . ?
O8 C40 C41 C42 160.3(2) . . . . ?
O8 C40 C41 C46 -22.0(3) . . . . ?
O4 C14 C15 C16 -169.0(2) . . . . ?
O4 C14 C15 C20 10.0(3) . . . . ?
N1 C79 C80 C81 -1.3(4) . . . . ?
C40 C41 C42 C43 179.2(2) . . . . ?
C40 C41 C46 C45 -177.0(2) . . . . ?
O5 C27 C28 C33 -172.5(2) . . . . ?
O5 C27 C28 C29 9.4(3) . . . . ?
N2 C84 C85 C86 0.2(4) . . . . ?
N2 C88 C87 C86 0.2(4) . . . . ?
O12 C66 C67 C72 -13.1(4) . . . . ?
O12 C66 C67 C68 168.6(2) . . . . ?
C2 C3 C4 C5 1.9(4) . . . . ?
C2 C7 C6 C5 0.9(4) . . . . ?
C55 C54 C53 O10 166.8(2) . . . . ?
C55 C54 C53 O9 -10.8(3) . . . . ?
C55 C54 C59 C58 -1.2(4) . . . . ?
C17 C16 C15 C14 178.7(2) . . . . ?
C17 C16 C15 C20 -0.2(3) . . . . ?
C17 C18 C21 C22 38.5(3) . . . . ?
C17 C18 C21 C26 -138.2(3) . . . . ?
C70 C69 C68 C67 0.9(4) . . . . ?
C70 C73 C74 C75 -175.9(3) . . . . ?
C66 C67 C72 C71 -177.4(2) . . . . ?
C66 C67 C68 C69 177.0(2) . . . . ?
C41 C42 C43 C44 -2.0(4) . . . . ?
C41 C46 C45 C44 -2.4(4) . . . . ?
C19 C20 C15 C14 -180.0(2) . . . . ?
C19 C20 C15 C16 -1.0(3) . . . . ?
C19 C18 C21 C22 -142.6(3) . . . . ?
C19 C18 C21 C26 40.8(4) . . . . ?
C42 C41 C46 C45 0.8(4) . . . . ?
C42 C43 C44 C45 0.5(4) . . . . ?
C42 C43 C44 C47 -178.8(2) . . . . ?
C31 C34 C35 C36 175.3(3) . . . . ?
C31 C34 C39 C38 -176.4(3) . . . . ?
C79 N1 C83 C82 0.0(4) . . . . ?
C79 C80 C81 C82 1.6(4) . . . . ?
C67 C72 C71 C70 0.0(4) . . . . ?
C16 C17 C18 C19 -1.0(3) . . . . ?
C16 C17 C18 C21 178.0(2) . . . . ?
C72 C67 C68 C69 -1.3(4) . . . . ?
C20 C19 C18 C17 -0.3(4) . . . . ?
C20 C19 C18 C21 -179.2(2) . . . . ?
C84 N2 C88 C87 -0.3(4) . . . . ?
C84 C85 C86 C87 -0.3(4) . . . . ?
C69 C70 C71 C72 -0.5(4) . . . . ?
C69 C70 C73 C78 -134.0(3) . . . . ?
C69 C70 C73 C74 43.1(3) . . . . ?
C57 C60 C65 C64 -179.7(3) . . . . ?
C18 C17 C16 C15 1.2(4) . . . . ?
C18 C19 C20 C15 1.3(4) . . . . ?
C18 C21 C26 C25 176.3(3) . . . . ?
C54 C55 C56 C57 -0.3(4) . . . . ?
C54 C59 C58 C57 -0.6(4) . . . . ?
C23 C22 C21 C18 -175.4(2) . . . . ?
C23 C22 C21 C26 1.3(4) . . . . ?
C23 C24 C25 C26 1.2(5) . . . . ?
C32 C33 C28 C27 -178.6(2) . . . . ?
C32 C33 C28 C29 -0.5(4) . . . . ?
C32 C31 C34 C35 -130.0(3) . . . . ?
C32 C31 C34 C39 46.3(3) . . . . ?
C32 C31 C30 C29 -0.1(4) . . . . ?
C46 C41 C42 C43 1.4(4) . . . . ?
C46 C45 C44 C43 1.7(4) . . . . ?
C46 C45 C44 C47 -178.9(2) . . . . ?
C71 C70 C69 C68 0.0(4) . . . . ?
C71 C70 C73 C78 44.7(4) . . . . ?
C71 C70 C73 C74 -138.2(3) . . . . ?
C34 C31 C32 C33 175.6(2) . . . . ?
C34 C31 C30 C29 -177.5(2) . . . . ?
C34 C39 C38 C37 0.9(5) . . . . ?
C22 C23 C24 C25 -0.3(5) . . . . ?
C22 C21 C26 C25 -0.4(5) . . . . ?
C53 C54 C59 C58 176.9(2) . . . . ?
C3 C2 C1 O1 10.0(3) . . . . ?
C3 C2 C1 O2 -170.5(2) . . . . ?
C3 C2 C7 C6 -2.9(4) . . . . ?
C3 C4 C5 C8 159.5(4) . . . . ?
C3 C4 C5 C6 -3.8(5) . . . . ?
C3 C4 C5 C8A -164.6(4) . . . . ?
C1 C2 C3 C4 -178.2(2) . . . . ?
C1 C2 C7 C6 176.9(2) . . . . ?
C28 C33 C32 C31 2.1(4) . . . . ?
C28 C29 C30 C31 1.7(4) . . . . ?
C56 C55 C54 C53 -176.5(2) . . . . ?
C56 C55 C54 C59 1.6(4) . . . . ?
C56 C57 C58 C59 1.9(4) . . . . ?
C56 C57 C60 C61 -37.5(4) . . . . ?
C56 C57 C60 C65 142.4(3) . . . . ?
C47 C48 C49 C50 0.5(5) . . . . ?
C44 C47 C52 C51 -179.0(3) . . . . ?
C44 C47 C48 C49 178.0(3) . . . . ?
C78 C73 C74 C75 1.3(4) . . . . ?
C73 C70 C69 C68 178.8(2) . . . . ?
C73 C70 C71 C72 -179.1(2) . . . . ?
C73 C78 C77 C76 0.7(4) . . . . ?
C73 C74 C75 C76 0.2(4) . . . . ?
C30 C31 C32 C33 -1.8(4) . . . . ?
C30 C31 C34 C35 47.3(4) . . . . ?
C30 C31 C34 C39 -136.4(3) . . . . ?
C30 C29 C28 C33 -1.4(3) . . . . ?
C30 C29 C28 C27 176.6(2) . . . . ?
C61 C60 C65 C64 0.3(5) . . . . ?
C61 C62 C63 C64 0.7(5) . . . . ?
C59 C54 C53 O10 -11.2(3) . . . . ?
C59 C54 C53 O9 171.1(2) . . . . ?
C35 C36 C37 C38 -0.2(5) . . . . ?
C35 C34 C39 C38 0.0(4) . . . . ?
C68 C67 C72 C71 0.9(4) . . . . ?
C80 C81 C82 C83 -1.2(4) . . . . ?
C58 C57 C56 C55 -1.4(4) . . . . ?
C58 C57 C60 C61 141.7(3) . . . . ?
C58 C57 C60 C65 -38.4(4) . . . . ?
C60 C57 C56 C55 177.8(2) . . . . ?
C60 C57 C58 C59 -177.4(2) . . . . ?
C60 C61 C62 C63 -0.5(5) . . . . ?
C60 C65 C64 C63 0.0(5) . . . . ?
C21 C26 C25 C24 -0.8(5) . . . . ?
C81 C82 C83 N1 0.3(4) . . . . ?
C83 N1 C79 C80 0.5(4) . . . . ?
C39 C34 C35 C36 -1.1(4) . . . . ?
C39 C38 C37 C36 -0.8(5) . . . . ?
C75 C76 C77 C78 0.8(4) . . . . ?
C85 C86 C87 C88 0.1(4) . . . . ?
C65 C64 C63 C62 -0.5(6) . . . . ?
C4 C5 C8 C13 -147.6(6) . . . . ?
C4 C5 C8 C9 35.1(7) . . . . ?
C4 C5 C6 C7 2.4(5) . . . . ?
C4 C5 C8A C13A 140.1(6) . . . . ?
C4 C5 C8A C9A -48.4(7) . . . . ?
C62 C61 C60 C57 180.0(3) . . . . ?
C62 C61 C60 C65 0.0(4) . . . . ?
C5 C8A C13A C12A 171.9(6) . . . . ?
C5 C8A C9A C10A -175.4(7) . . . . ?
C51 C50 C49 C48 0.4(5) . . . . ?
C52 C47 C44 C43 -146.9(3) . . . . ?
C52 C47 C44 C45 33.8(4) . . . . ?
C52 C47 C48 C49 -0.5(4) . . . . ?
C52 C51 C50 C49 -1.3(5) . . . . ?
C50 C51 C52 C47 1.4(5) . . . . ?
C48 C47 C44 C43 34.6(4) . . . . ?
C48 C47 C44 C45 -144.7(3) . . . . ?
C48 C47 C52 C51 -0.5(5) . . . . ?
C37 C36 C35 C34 1.2(4) . . . . ?
C13 C12 C11 C10 -1.4(13) . . . . ?
C12 C13 C8 C5 -175.1(7) . . . . ?
C12 C13 C8 C9 2.3(11) . . . . ?
C12 C11 C10 C9 2.1(13) . . . . ?
C11 C10 C9 C8 -0.5(12) . . . . ?
C10 C9 C8 C5 175.6(6) . . . . ?
C10 C9 C8 C13 -1.7(10) . . . . ?
C8 C5 C6 C7 -159.1(4) . . . . ?
C8 C13 C12 C11 -0.8(13) . . . . ?
C7 C2 C3 C4 1.5(4) . . . . ?
C7 C2 C1 O1 -169.7(2) . . . . ?
C7 C2 C1 O2 9.8(3) . . . . ?
C24 C23 C22 C21 -0.9(4) . . . . ?
C77 C76 C75 C74 -1.2(5) . . . . ?
C77 C78 C73 C70 175.4(2) . . . . ?
C77 C78 C73 C74 -1.8(4) . . . . ?
C88 N2 C84 C85 0.1(4) . . . . ?
C6 C5 C8 C13 14.5(8) . . . . ?
C6 C5 C8 C9 -162.7(5) . . . . ?
C6 C5 C8A C13A -21.6(7) . . . . ?
C6 C5 C8A C9A 149.9(5) . . . . ?
C8A C5 C6 C7 165.8(4) . . . . ?
C8A C13A C12A C11A -0.3(11) . . . . ?
C13A C8A C9A C10A -3.2(11) . . . . ?
C13A C12A C11A C10A 1.7(12) . . . . ?
C12A C11A C10A C9A -3.8(13) . . . . ?
C11A C10A C9A C8A 4.6(13) . . . . ?
C9A C8A C13A C12A 1.1(10) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Vapour deposition'
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_a
_database_code_depnum_ccdc_archive 'CCDC 2047647'
loop_
_audit_author_name
_audit_author_address
'Stanislav Melnikov'
;NS Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences
Russia
;
_audit_update_record             
;
2020-12-01 deposited with the CCDC.	2021-06-15 downloaded from the CCDC.
;
_audit_creation_date             2020-11-26
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C88 H64 N3 O15 Tb Zn2, 1.5(C2 H3 N)'
_chemical_formula_sum            'C91 H68.50 N4.50 O15 Tb Zn2'
_chemical_formula_weight         1754.66
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.7358(14)
_cell_length_b                   22.044(3)
_cell_length_c                   30.788(4)
_cell_angle_alpha                90
_cell_angle_beta                 100.651(3)
_cell_angle_gamma                90
_cell_volume                     7827.8(17)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7390
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      22.43
_cell_measurement_theta_min      2.21
_shelx_estimated_absorpt_T_max   0.984
_shelx_estimated_absorpt_T_min   0.925
_exptl_absorpt_coefficient_mu    1.573
_exptl_absorpt_correction_T_max  0.4326
_exptl_absorpt_correction_T_min  0.3673
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1078 before and 0.0618 after correction.
The Ratio of minimum to maximum transmission is 0.8491.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.489
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3564
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1144
_diffrn_reflns_av_unetI/netI     0.1023
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            101792
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.416
_diffrn_reflns_theta_min         1.143
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14989
_reflns_number_total             23362
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'XS  (Sheldrick, 2008)'
_refine_diff_density_max         1.047
_refine_diff_density_min         -2.092
_refine_diff_density_rms         0.138
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1015
_refine_ls_number_reflns         23362
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1030
_refine_ls_R_factor_gt           0.0503
_refine_ls_restrained_S_all      1.007
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0321P)²+2.6440P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0865
_refine_ls_wR_factor_ref         0.1037
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Fixed Sof: C13(0.5) H13(0.5) C12(0.5) H12(0.5) C11(0.5) H11(0.5) C10(0.5)
 H10(0.5) C9(0.5) H9(0.5) C8(0.5) C8A(0.5) C13A(0.5) H13A(0.5) C12A(0.5)
 H12A(0.5) C11A(0.5) H11A(0.5) C10A(0.5) H10A(0.5) C9A(0.5) H9A(0.5) N2S(0.5)
 C3S(0.5) C4S(0.5) H4SA(0.5) H4SB(0.5) H4SC(0.5)
 Fixed Uiso: H76(0.04) H55(0.026) H17(0.026) H33(0.023) H19(0.028) H42(0.027)
 H79(0.027) H16(0.026) H29(0.024) H72(0.029) H20(0.027) H84(0.028) H36(0.044)
 H43(0.031) H69(0.027) H23(0.038) H32(0.026) H46(0.031) H71(0.031) H22(0.032)
 H45(0.033) H3(0.027) H56(0.032) H78(0.035) H30(0.026) H61(0.041) H59(0.029)
 H35(0.034) H68(0.027) H74(0.036) H80(0.036) H58(0.031) H81(0.037) H82(0.039)
 H83(0.034) H39(0.034) H75(0.043) H85(0.034) H65(0.045) H4(0.043) H62(0.054)
 H51(0.056) H38(0.042) H52(0.048) H64(0.061) H50(0.058) H48(0.043) H37(0.046)
 H49(0.056) H13(0.047) H12(0.054) H11(0.041) H10(0.036) H9(0.035) H63(0.063)
 H7(0.031) H24(0.046) H77(0.041) H88(0.025) H86(0.035) H26(0.043) H1SA(0.099)
 H1SB(0.099) H1SC(0.099) H6(0.038) H87(0.031) H25(0.056) H13A(0.058)
 H12A(0.084) H11A(0.084) H10A(0.055) H9A(0.035) H4SA(0.173) H4SB(0.173)
 H4SC(0.173)
 Fixed X: H76(-0.547) H55(0.209399) H17(-0.2119) H33(0.4103) H19(-0.1639)
 H42(0.4543) H79(-0.1146) H16(-0.1153) H29(0.395101) H72(-0.2753) H20(-
 0.059401) H84(-0.145) H36(0.941) H43(0.5388) H69(-0.146199) H23(-0.318099)
 H32(0.5625) H46(0.1745) H71(-0.4006) H22(-0.2023) H45(0.2546) H3(0.0596)
 H56(0.2817) H78(-0.506001) H30(0.5549) H61(0.244699) H59(0.279599)
 H35(0.772099) H68(-0.022301) H74(-0.2486) H80(-0.212) H58(0.355201) H81(-
 0.1408) H82(0.028201) H83(0.121902) H39(0.628302) H75(-0.3626) H85(-0.2171)
 H65(0.5004) H4(0.079) H62(0.314301) H51(0.4635) H38(0.7959) H52(0.3877)
 H64(0.5665) H50(0.576699) H48(0.5448) H37(0.9526) H49(0.617701) H13(0.400499)
 H12(0.4505) H11(0.3165) H10(0.1324) H9(0.082399) H63(0.474699) H7(0.2916) H24(-
 0.4501) H77(-0.6174) H88(0.122701) H86(-0.1151) H26(-0.3544) H1SA(0.125201)
 H1SB(0.119101) H1SC(0.0733) H6(0.3148) H87(0.055201) H25(-0.4664)
 H13A(0.237399) H12A(0.2609) H11A(0.2436) H10A(0.2027) H9A(0.1792) H4SA(0.2839)
 H4SB(0.303801) H4SC(0.223801)
 Fixed Y: H76(0.3484) H55(0.671101) H17(0.521901) H33(0.551001) H19(0.690901)
 H42(0.690101) H79(0.376399) H16(0.484399) H29(0.3749) H72(0.665201)
 H20(0.653901) H84(0.8332) H36(0.372399) H43(0.68) H69(0.4959) H23(0.6091)
 H32(0.5302) H46(0.7663) H71(0.5854) H22(0.5772) H45(0.749499) H3(0.4539)
 H56(0.6877) H78(0.5275) H30(0.3556) H61(0.7377) H59(0.8443) H35(0.3823)
 H68(0.575999) H74(0.4149) H80(0.289599) H58(0.8595) H81(0.2296) H82(0.2591)
 H83(0.346) H39(0.4753) H75(0.3326) H85(0.9276) H65(0.8424) H4(0.4578)
 H62(0.755301) H51(0.768201) H38(0.4628) H52(0.7811) H64(0.8592) H50(0.6849)
 H48(0.628201) H37(0.412399) H49(0.615001) H13(0.537499) H12(0.518901)
 H11(0.475699) H10(0.4512) H9(0.4698) H63(0.8155) H7(0.588201) H24(0.686)
 H77(0.4459) H88(0.905999) H86(1.0137) H26(0.6991) H1SA(0.3735) H1SB(0.3696)
 H1SC(0.4276) H6(0.5905) H87(1.001301) H25(0.7315) H13A(0.631801) H12A(0.6445)
 H11A(0.561901) H10A(0.466599) H9A(0.4539) H4SA(0.6934) H4SB(0.624201)
 H4SC(0.662201)
 Fixed Z: H76(0.628701) H55(0.904699) H17(0.921) H33(0.888301) H19(0.8804)
 H42(0.7011) H79(0.7806) H16(0.868401) H29(0.8541) H72(0.7351) H20(0.829801)
 H84(0.695101) H36(0.9807) H43(0.6399) H69(0.6694) H23(1.0381) H32(0.9452)
 H46(0.625801) H71(0.713201) H22(0.9892) H45(0.563901) H3(0.625701) H56(0.9787)
 H78(0.6456) H30(0.9084) H61(1.0442) H59(0.8784) H35(0.928301) H68(0.6904)
 H74(0.6966) H80(0.7549) H58(0.9518) H81(0.704) H82(0.6804) H83(0.709399)
 H39(1.0169) H75(0.669901) H85(0.6735) H65(1.0145) H4(0.5525) H62(1.119)
 H51(0.4588) H38(1.068901) H52(0.5225) H64(1.089399) H50(0.4514) H48(0.5722)
 H37(1.0505) H49(0.508) H13(0.5297) H12(0.4615) H11(0.4051) H10(0.417)
 H9(0.4852) H63(1.1406) H7(0.653801) H24(1.0186) H77(0.6166) H88(0.772599)
 H86(0.7027) H26(0.9007) H1SA(0.865201) H1SB(0.9156) H1SC(0.888301) H6(0.5811)
 H87(0.7525) H25(0.9506) H13A(0.515301) H12A(0.442599) H11A(0.395201)
 H10A(0.4203) H9A(0.493) H4SA(0.4423) H4SB(0.4526) H4SC(0.477799)
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 0.21579(2) 0.62138(2) 0.77838(2) 0.01453(4) Uani 1 1 d . . . . .
Zn2 Zn 0.06865(4) 0.77709(2) 0.75110(2) 0.01753(9) Uani 1 1 d . . . . .
Zn1 Zn 0.09016(4) 0.45090(2) 0.76630(2) 0.01754(9) Uani 1 1 d . . . . .
O15 O 0.3919(2) 0.65248(11) 0.83060(8) 0.0219(6) Uani 1 1 d . . . . .
O3 O -0.0152(2) 0.48389(11) 0.80275(8) 0.0216(6) Uani 1 1 d . . . . .
O7 O 0.2827(2) 0.70342(11) 0.74263(8) 0.0208(6) Uani 1 1 d . . . . .
O11 O 0.0564(2) 0.66696(12) 0.72978(8) 0.0229(6) Uani 1 1 d . . . . .
O10 O 0.1599(2) 0.79092(11) 0.81072(8) 0.0222(6) Uani 1 1 d . . . . .
O6 O 0.2632(2) 0.53433(11) 0.82074(8) 0.0230(6) Uani 1 1 d . . . . .
O8 O 0.1693(2) 0.77584(11) 0.70665(8) 0.0212(6) Uani 1 1 d . . . . .
O4 O 0.0443(2) 0.57696(11) 0.79062(8) 0.0205(6) Uani 1 1 d . . . . .
O13 O 0.4215(2) 0.60032(12) 0.77403(9) 0.0247(6) Uani 1 1 d . . . . .
O9 O 0.1559(2) 0.69178(11) 0.82385(8) 0.0191(5) Uani 1 1 d . . . . .
O1 O 0.1113(2) 0.47148(12) 0.70696(8) 0.0246(6) Uani 1 1 d . . . . .
N1 N 0.0126(3) 0.36931(13) 0.74765(10) 0.0187(7) Uani 1 1 d . . . . .
C40 C 0.2488(3) 0.73684(16) 0.70946(12) 0.0185(8) Uani 1 1 d . . . . .
O5 O 0.2352(2) 0.43549(11) 0.80717(8) 0.0213(6) Uani 1 1 d . . . . .
N3 N 0.4646(3) 0.62780(13) 0.80981(11) 0.0219(7) Uani 1 1 d . . . . .
O2 O 0.2131(2) 0.55692(12) 0.72060(8) 0.0264(6) Uani 1 1 d . . . . .
N2 N -0.0040(3) 0.86025(13) 0.73576(10) 0.0179(6) Uani 1 1 d . . . . .
O12 O -0.0810(2) 0.72867(11) 0.74232(9) 0.0252(6) Uani 1 1 d . . . . .
C2 C 0.1754(3) 0.51963(16) 0.64741(12) 0.0176(8) Uani 1 1 d . . . . .
C76 C -0.5014(4) 0.3813(2) 0.64011(14) 0.0335(10) Uani 1 1 d . . . . .
H76 H -0.547000 0.348400 0.628701 0.040 Uiso 1 1 d . U . . .
C55 C 0.2375(3) 0.70931(17) 0.91409(12) 0.0217(8) Uani 1 1 d . . . . .
H55 H 0.209399 0.671101 0.904699 0.026 Uiso 1 1 d . U . . .
C17 C -0.1828(3) 0.54865(17) 0.90236(12) 0.0213(8) Uani 1 1 d . . . . .
H17 H -0.211900 0.521901 0.921000 0.026 Uiso 1 1 d . U . . .
O14 O 0.5694(2) 0.63081(13) 0.82303(10) 0.0362(8) Uani 1 1 d . . . . .
C14 C -0.0113(3) 0.54062(16) 0.80993(12) 0.0176(8) Uani 1 1 d . . . . .
C70 C -0.2867(3) 0.53181(17) 0.68899(12) 0.0208(8) Uani 1 1 d . . . . .
C66 C -0.0495(3) 0.67724(17) 0.73011(12) 0.0205(8) Uani 1 1 d . . . . .
C41 C 0.3064(3) 0.72977(15) 0.67027(12) 0.0176(7) Uani 1 1 d . . . . .
C33 C 0.4382(3) 0.51154(16) 0.89261(12) 0.0193(8) Uani 1 1 d . . . . .
H33 H 0.410300 0.551001 0.888301 0.023 Uiso 1 1 d . U . . .
C19 C -0.1531(3) 0.64932(17) 0.87842(13) 0.0235(8) Uani 1 1 d . . . . .
H19 H -0.163900 0.690901 0.880400 0.028 Uiso 1 1 d . U . . .
C42 C 0.4149(3) 0.70332(17) 0.67372(13) 0.0226(8) Uani 1 1 d . . . . .
H42 H 0.454300 0.690101 0.701100 0.027 Uiso 1 1 d . U . . .
C31 C 0.5769(3) 0.44106(17) 0.93228(12) 0.0202(8) Uani 1 1 d . . . . .
C27 C 0.2885(3) 0.47983(16) 0.82834(12) 0.0176(8) Uani 1 1 d . . . . .
C79 C -0.0853(3) 0.35227(17) 0.76050(13) 0.0226(8) Uani 1 1 d . . . . .
H79 H -0.114600 0.376399 0.780600 0.027 Uiso 1 1 d . U . . .
C67 C -0.1354(3) 0.62885(16) 0.71551(12) 0.0198(8) Uani 1 1 d . . . . .
C16 C -0.1240(3) 0.52607(17) 0.87097(13) 0.0219(8) Uani 1 1 d . . . . .
H16 H -0.115300 0.484399 0.868401 0.026 Uiso 1 1 d . U . . .
C29 C 0.4302(3) 0.40637(16) 0.87182(12) 0.0197(8) Uani 1 1 d . . . . .
H29 H 0.395101 0.374900 0.854100 0.024 Uiso 1 1 d . U . . .
C72 C -0.2492(3) 0.63127(17) 0.72191(13) 0.0241(9) Uani 1 1 d . . . . .
H72 H -0.275300 0.665201 0.735100 0.029 Uiso 1 1 d . U . . .
C20 C -0.0914(3) 0.62715(17) 0.84762(12) 0.0223(8) Uani 1 1 d . . . . .
H20 H -0.059401 0.653901 0.829801 0.027 Uiso 1 1 d . U . . .
C84 C -0.1042(3) 0.86743(17) 0.70672(13) 0.0233(8) Uani 1 1 d . . . . .
H84 H -0.145000 0.833200 0.695101 0.028 Uiso 1 1 d . U . . .
C36 C 0.8778(4) 0.3929(2) 0.98794(16) 0.0363(11) Uani 1 1 d . . . . .
H36 H 0.941000 0.372399 0.980700 0.044 Uiso 1 1 d . U . . .
C43 C 0.4649(3) 0.69648(18) 0.63685(14) 0.0257(9) Uani 1 1 d . . . . .
H43 H 0.538800 0.680000 0.639900 0.031 Uiso 1 1 d . U . . .
C69 C -0.1727(3) 0.52987(17) 0.68249(13) 0.0229(8) Uani 1 1 d . . . . .
H69 H -0.146199 0.495900 0.669400 0.027 Uiso 1 1 d . U . . .
C57 C 0.3235(3) 0.77579(18) 0.97346(13) 0.0226(8) Uani 1 1 d . . . . .
C18 C -0.1993(3) 0.61070(17) 0.90670(12) 0.0203(8) Uani 1 1 d . . . . .
C54 C 0.2355(3) 0.75604(16) 0.88332(12) 0.0180(8) Uani 1 1 d . . . . .
C23 C -0.3252(4) 0.6274(2) 1.01054(13) 0.0318(10) Uani 1 1 d . . . . .
H23 H -0.318099 0.609100 1.038101 0.038 Uiso 1 1 d . U . . .
C32 C 0.5308(3) 0.49917(17) 0.92631(12) 0.0213(8) Uani 1 1 d . . . . .
H32 H 0.562500 0.530200 0.945200 0.026 Uiso 1 1 d . U . . .
C46 C 0.2470(3) 0.74800(18) 0.62859(13) 0.0257(9) Uani 1 1 d . . . . .
H46 H 0.174500 0.766300 0.625801 0.031 Uiso 1 1 d . U . . .
C71 C -0.3245(3) 0.58333(18) 0.70880(14) 0.0255(9) Uani 1 1 d . . . . .
H71 H -0.400600 0.585400 0.713201 0.031 Uiso 1 1 d . U . . .
C34 C 0.6821(3) 0.43018(17) 0.96692(13) 0.0237(9) Uani 1 1 d . . . . .
C22 C -0.2561(3) 0.60798(18) 0.98099(13) 0.0263(9) Uani 1 1 d . . . . .
H22 H -0.202300 0.577200 0.989200 0.032 Uiso 1 1 d . U . . .
C53 C 0.1815(3) 0.74554(16) 0.83621(12) 0.0183(8) Uani 1 1 d . . . . .
C45 C 0.2960(4) 0.73880(18) 0.59152(13) 0.0271(9) Uani 1 1 d . . . . .
H45 H 0.254600 0.749499 0.563901 0.033 Uiso 1 1 d . U . . .
C3 C 0.1114(3) 0.48112(17) 0.61681(13) 0.0226(8) Uani 1 1 d . . . . .
H3 H 0.059600 0.453900 0.625701 0.027 Uiso 1 1 d . U . . .
C1 C 0.1663(3) 0.51580(17) 0.69508(12) 0.0209(8) Uani 1 1 d . . . . .
C15 C -0.0775(3) 0.56485(16) 0.84330(12) 0.0180(8) Uani 1 1 d . . . . .
C28 C 0.3868(3) 0.46537(16) 0.86525(12) 0.0170(7) Uani 1 1 d . . . . .
C56 C 0.2810(3) 0.71930(18) 0.95854(13) 0.0264(9) Uani 1 1 d . . . . .
H56 H 0.281700 0.687700 0.978700 0.032 Uiso 1 1 d . U . . .
C47 C 0.4567(4) 0.70604(19) 0.55443(13) 0.0283(9) Uani 1 1 d . . . . .
C44 C 0.4063(3) 0.71385(17) 0.59492(13) 0.0245(9) Uani 1 1 d . . . . .
C78 C -0.4761(3) 0.48834(19) 0.64996(14) 0.0291(9) Uani 1 1 d . . . . .
H78 H -0.506001 0.527500 0.645600 0.035 Uiso 1 1 d . U . . .
C73 C -0.3636(3) 0.48013(17) 0.67367(12) 0.0216(8) Uani 1 1 d . . . . .
C30 C 0.5253(3) 0.39476(16) 0.90468(13) 0.0214(8) Uani 1 1 d . . . . .
H30 H 0.554900 0.355600 0.908400 0.026 Uiso 1 1 d . U . . .
C61 C 0.3101(4) 0.7618(2) 1.05288(14) 0.0346(11) Uani 1 1 d . . . . .
H61 H 0.244699 0.737700 1.044201 0.041 Uiso 1 1 d . U . . .
C59 C 0.2799(3) 0.81268(17) 0.89836(13) 0.0240(9) Uani 1 1 d . . . . .
H59 H 0.279599 0.844300 0.878400 0.029 Uiso 1 1 d . U . . .
C35 C 0.7763(3) 0.39899(19) 0.95626(14) 0.0285(9) Uani 1 1 d . . . . .
H35 H 0.772099 0.382300 0.928301 0.034 Uiso 1 1 d . U . . .
C68 C -0.0980(3) 0.57779(17) 0.69531(13) 0.0223(8) Uani 1 1 d . . . . .
H68 H -0.022301 0.575999 0.690400 0.027 Uiso 1 1 d . U . . .
C74 C -0.3230(3) 0.42136(19) 0.68066(14) 0.0299(10) Uani 1 1 d . . . . .
H74 H -0.248600 0.414900 0.696600 0.036 Uiso 1 1 d . U . . .
C80 C -0.1445(4) 0.30038(19) 0.74512(14) 0.0299(10) Uani 1 1 d . . . . .
H80 H -0.212000 0.289599 0.754900 0.036 Uiso 1 1 d . U . . .
C58 C 0.3242(3) 0.82184(17) 0.94251(13) 0.0259(9) Uani 1 1 d . . . . .
H58 H 0.355201 0.859500 0.951800 0.031 Uiso 1 1 d . U . . .
C60 C 0.3665(4) 0.78701(19) 1.02119(14) 0.0291(10) Uani 1 1 d . . . . .
C21 C -0.2663(3) 0.63408(17) 0.93948(13) 0.0236(9) Uani 1 1 d . . . . .
C81 C -0.1022(4) 0.26481(18) 0.71491(15) 0.0311(10) Uani 1 1 d . . . . .
H81 H -0.140800 0.229600 0.704000 0.037 Uiso 1 1 d . U . . .
C82 C -0.0017(4) 0.28209(18) 0.70097(15) 0.0325(10) Uani 1 1 d . . . . .
H82 H 0.028201 0.259100 0.680400 0.039 Uiso 1 1 d . U . . .
C83 C 0.0537(3) 0.33443(18) 0.71837(14) 0.0283(9) Uani 1 1 d . . . . .
H83 H 0.121902 0.346000 0.709399 0.034 Uiso 1 1 d . U . . .
C39 C 0.6908(3) 0.45424(19) 1.00940(13) 0.0280(9) Uani 1 1 d . . . . .
H39 H 0.628302 0.475300 1.016899 0.034 Uiso 1 1 d . U . . .
C75 C -0.3908(4) 0.37179(19) 0.66447(15) 0.0355(11) Uani 1 1 d . . . . .
H75 H -0.362600 0.332600 0.669901 0.043 Uiso 1 1 d . U . . .
C85 C -0.1480(3) 0.92388(19) 0.69365(14) 0.0282(9) Uani 1 1 d . . . . .
H85 H -0.217100 0.927600 0.673500 0.034 Uiso 1 1 d . U . . .
C65 C 0.4627(4) 0.8244(2) 1.03520(14) 0.0379(11) Uani 1 1 d . . . . .
H65 H 0.500400 0.842400 1.014500 0.045 Uiso 1 1 d . U . . .
C4 C 0.1241(4) 0.4831(2) 0.57295(14) 0.0360(11) Uani 1 1 d . . . . .
H4 H 0.079000 0.457800 0.552500 0.043 Uiso 1 1 d . U . . .
C62 C 0.3516(5) 0.7726(2) 1.09782(15) 0.0452(13) Uani 1 1 d . . . . .
H62 H 0.314301 0.755301 1.118999 0.054 Uiso 1 1 d . U . . .
C2S C -0.0342(5) 0.3570(3) 0.87615(17) 0.0468(14) Uani 1 1 d . . . . .
C5 C 0.2028(4) 0.5222(2) 0.55910(14) 0.0413(12) Uani 1 1 d . . . . .
C51 C 0.4793(5) 0.7398(2) 0.48139(15) 0.0470(13) Uani 1 1 d . . . . .
H51 H 0.463500 0.768201 0.458800 0.056 Uiso 1 1 d . U . . .
C38 C 0.7915(4) 0.4471(2) 1.04058(14) 0.0351(11) Uani 1 1 d . . . . .
H38 H 0.795900 0.462800 1.068901 0.042 Uiso 1 1 d . U . . .
C52 C 0.4339(4) 0.7476(2) 0.51992(15) 0.0397(12) Uani 1 1 d . . . . .
H52 H 0.387700 0.781100 0.522500 0.048 Uiso 1 1 d . U . . .
C64 C 0.5022(4) 0.8345(3) 1.08027(17) 0.0507(14) Uani 1 1 d . . . . .
H64 H 0.566500 0.859200 1.089399 0.061 Uiso 1 1 d . U . . .
C50 C 0.5472(4) 0.6902(3) 0.47711(16) 0.0482(14) Uani 1 1 d . . . . .
H50 H 0.576699 0.684900 0.451400 0.058 Uiso 1 1 d . U . . .
C48 C 0.5273(4) 0.6563(2) 0.54942(15) 0.0355(11) Uani 1 1 d . . . . .
H48 H 0.544800 0.628201 0.572200 0.043 Uiso 1 1 d . U . . .
C37 C 0.8848(4) 0.4167(2) 1.02971(16) 0.0381(12) Uani 1 1 d . . . . .
H37 H 0.952600 0.412399 1.050499 0.046 Uiso 1 1 d . U . . .
C49 C 0.5716(4) 0.6484(3) 0.51097(17) 0.0467(13) Uani 1 1 d . . . . .
H49 H 0.617701 0.615001 0.508000 0.056 Uiso 1 1 d . U . . .
C13 C 0.3462(8) 0.5200(4) 0.5069(3) 0.039(2) Uiso 0.5 1 d . . P A 1
H13 H 0.400499 0.537499 0.529700 0.047 Uiso 0.5 1 d . U P B 1
C12 C 0.3764(9) 0.5086(5) 0.4662(3) 0.045(2) Uiso 0.5 1 d . . P A 1
H12 H 0.450500 0.518901 0.461500 0.054 Uiso 0.5 1 d . U P C 1
C11 C 0.2965(8) 0.4839(4) 0.4323(3) 0.034(2) Uiso 0.5 1 d . . P A 1
H11 H 0.316500 0.475699 0.405100 0.041 Uiso 0.5 1 d . U P D 1
C10 C 0.1877(8) 0.4679(4) 0.4397(3) 0.032(2) Uiso 0.5 1 d . . P A 1
H10 H 0.132400 0.451200 0.417000 0.036 Uiso 0.5 1 d . U P E 1
C9 C 0.1556(8) 0.4789(4) 0.4802(3) 0.025(2) Uiso 0.5 1 d . . P A 1
H9 H 0.082399 0.469800 0.485200 0.035 Uiso 0.5 1 d . U P F 1
C8 C 0.2383(6) 0.5055(3) 0.5147(3) 0.0187(15) Uiso 0.5 1 d . . P A 1
C63 C 0.4472(5) 0.8087(3) 1.11069(16) 0.0521(15) Uani 1 1 d . . . . .
H63 H 0.474699 0.815500 1.140600 0.063 Uiso 1 1 d . U . . .
C7 C 0.2504(3) 0.56115(18) 0.63360(13) 0.0261(9) Uani 1 1 d . . . . .
H7 H 0.291600 0.588201 0.653801 0.031 Uiso 1 1 d . U . . .
C24 C -0.4036(4) 0.6732(2) 0.99897(15) 0.0384(11) Uani 1 1 d . . . . .
H24 H -0.450100 0.686000 1.018600 0.046 Uiso 1 1 d . U . . .
C77 C -0.5434(4) 0.4395(2) 0.63297(15) 0.0344(11) Uani 1 1 d . . . . .
H77 H -0.617400 0.445900 0.616600 0.041 Uiso 1 1 d . U . . .
C88 C 0.0537(3) 0.91032(17) 0.75249(13) 0.0212(8) Uani 1 1 d . . . . .
H88 H 0.122701 0.905999 0.772599 0.025 Uiso 1 1 d . U . . .
C86 C -0.0874(4) 0.97508(18) 0.71101(14) 0.0289(10) Uani 1 1 d . . . . .
H86 H -0.115100 1.013700 0.702700 0.035 Uiso 1 1 d . U . . .
N1S N -0.1244(4) 0.3376(2) 0.86699(14) 0.0544(12) Uani 1 1 d . . . . .
C26 C -0.3461(4) 0.6808(2) 0.92835(14) 0.0358(11) Uani 1 1 d . . . . .
H26 H -0.354400 0.699100 0.900700 0.043 Uiso 1 1 d . U . . .
C1S C 0.0807(5) 0.3842(3) 0.8872(2) 0.0663(18) Uani 1 1 d . . . . .
H1SA H 0.125201 0.373500 0.865201 0.099 Uiso 1 1 d . U . . .
H1SB H 0.119101 0.369600 0.915600 0.099 Uiso 1 1 d . U . . .
H1SC H 0.073300 0.427600 0.888301 0.099 Uiso 1 1 d . U . . .
C6 C 0.2643(4) 0.5625(2) 0.58995(14) 0.0319(10) Uani 1 1 d . . . . .
H6 H 0.314800 0.590500 0.581100 0.038 Uiso 1 1 d . U . . .
C87 C 0.0135(4) 0.96757(17) 0.74045(13) 0.0260(9) Uani 1 1 d . . . . .
H87 H 0.055201 1.001301 0.752500 0.031 Uiso 1 1 d . U . . .
C25 C -0.4138(4) 0.7001(2) 0.95822(17) 0.0466(13) Uani 1 1 d . . . . .
H25 H -0.466400 0.731500 0.950600 0.056 Uiso 1 1 d . U . . .
C8A C 0.2081(8) 0.5400(4) 0.5120(3) 0.035(2) Uiso 0.5 1 d . . P A 2
C13A C 0.2295(9) 0.5989(5) 0.4958(4) 0.048(3) Uiso 0.5 1 d . . P A 2
H13A H 0.237399 0.631801 0.515301 0.058 Uiso 0.5 1 d . U P G 2
C12A C 0.2438(11) 0.6086(6) 0.4532(4) 0.069(4) Uiso 0.5 1 d . . P A 2
H12A H 0.260900 0.644500 0.442599 0.084 Uiso 0.5 1 d . U P H 2
C11A C 0.2371(11) 0.5567(6) 0.4250(4) 0.069(4) Uiso 0.5 1 d . . P A 2
H11A H 0.243600 0.561901 0.395201 0.084 Uiso 0.5 1 d . U P I 2
C10A C 0.2091(9) 0.4983(5) 0.4388(4) 0.045(3) Uiso 0.5 1 d . . P A 2
H10A H 0.202700 0.466599 0.420300 0.055 Uiso 0.5 1 d . U P J 2
C9A C 0.1935(9) 0.4933(5) 0.4832(3) 0.032(2) Uiso 0.5 1 d . . P A 2
H9A H 0.179200 0.453900 0.493000 0.035 Uiso 0.5 1 d . U P K 2
N2S N 0.0760(12) 0.6317(6) 0.3900(5) 0.110(4) Uiso 0.5 1 d . . P L 1
C3S C 0.1484(10) 0.6414(5) 0.4177(4) 0.056(3) Uiso 0.5 1 d . . P L 1
C4S C 0.2429(16) 0.6567(9) 0.4461(6) 0.117(6) Uiso 0.5 1 d . . P L 1
H4SA H 0.283900 0.693400 0.442300 0.173 Uiso 0.5 1 d . U P M 1
H4SB H 0.303801 0.624201 0.452600 0.173 Uiso 0.5 1 d . U P N 1
H4SC H 0.223801 0.662201 0.477799 0.173 Uiso 0.5 1 d . U P O 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Tb1 O15 2.469(3) . ?
Tb1 O7 2.328(2) . ?
Tb1 O11 2.390(2) . ?
Tb1 O6 2.329(2) . ?
Tb1 O4 2.331(3) . ?
Tb1 O13 2.487(3) . ?
Tb1 O9 2.286(2) . ?
Tb1 N3 2.904(3) . ?
Tb1 O2 2.273(3) . ?
Zn2 O10 1.970(2) . ?
Zn2 O8 1.967(3) . ?
Zn2 N2 2.040(3) . ?
Zn2 O12 2.030(3) . ?
Zn1 O3 1.957(3) . ?
Zn1 O1 1.943(3) . ?
Zn1 N1 2.049(3) . ?
Zn1 O5 1.950(2) . ?
O15 N3 1.279(4) . ?
O3 C14 1.269(4) . ?
O7 C40 1.263(4) . ?
O11 C66 1.265(4) . ?
O10 C53 1.268(4) . ?
O6 C27 1.249(4) . ?
O8 C40 1.260(4) . ?
O4 C14 1.250(4) . ?
O13 N3 1.277(4) . ?
O9 C53 1.264(4) . ?
O1 C1 1.261(4) . ?
N1 C79 1.337(5) . ?
N1 C83 1.340(5) . ?
C40 C41 1.496(5) . ?
O5 C27 1.273(4) . ?
N3 O14 1.224(4) . ?
O2 C1 1.258(4) . ?
N2 C84 1.349(5) . ?
N2 C88 1.346(5) . ?
O12 C66 1.271(4) . ?
C2 C3 1.383(5) . ?
C2 C1 1.493(5) . ?
C2 C7 1.389(5) . ?
C76 H76 0.930(4) . ?
C76 C75 1.390(6) . ?
C76 C77 1.377(6) . ?
C55 H55 0.931(4) . ?
C55 C54 1.397(5) . ?
C55 C56 1.387(5) . ?
C17 H17 0.931(4) . ?
C17 C16 1.380(5) . ?
C17 C18 1.391(5) . ?
C14 C15 1.497(5) . ?
C70 C69 1.389(5) . ?
C70 C71 1.399(5) . ?
C70 C73 1.476(5) . ?
C66 C67 1.480(5) . ?
C41 C42 1.386(5) . ?
C41 C46 1.401(5) . ?
C33 H33 0.930(3) . ?
C33 C32 1.384(5) . ?
C33 C28 1.386(5) . ?
C19 H19 0.929(4) . ?
C19 C20 1.384(5) . ?
C19 C18 1.397(5) . ?
C42 H42 0.930(4) . ?
C42 C43 1.379(5) . ?
C31 C32 1.390(5) . ?
C31 C34 1.494(5) . ?
C31 C30 1.393(5) . ?
C27 C28 1.497(5) . ?
C79 H79 0.929(4) . ?
C79 C80 1.376(5) . ?
C67 C72 1.387(5) . ?
C67 C68 1.395(5) . ?
C16 H16 0.929(4) . ?
C16 C15 1.387(5) . ?
C29 H29 0.930(4) . ?
C29 C28 1.397(5) . ?
C29 C30 1.384(5) . ?
C72 H72 0.929(4) . ?
C72 C71 1.388(5) . ?
C20 H20 0.931(4) . ?
C20 C15 1.392(5) . ?
C84 H84 0.929(4) . ?
C84 C85 1.378(5) . ?
C36 H36 0.930(4) . ?
C36 C35 1.399(6) . ?
C36 C37 1.378(7) . ?
C43 H43 0.929(4) . ?
C43 C44 1.399(5) . ?
C69 H69 0.931(4) . ?
C69 C68 1.383(5) . ?
C57 C56 1.388(5) . ?
C57 C58 1.394(5) . ?
C57 C60 1.484(5) . ?
C18 C21 1.481(5) . ?
C54 C53 1.490(5) . ?
C54 C59 1.399(5) . ?
C23 H23 0.929(4) . ?
C23 C22 1.393(5) . ?
C23 C24 1.369(6) . ?
C32 H32 0.930(4) . ?
C46 H46 0.931(4) . ?
C46 C45 1.385(5) . ?
C71 H71 0.929(4) . ?
C34 C35 1.391(5) . ?
C34 C39 1.398(6) . ?
C22 H22 0.929(4) . ?
C22 C21 1.386(5) . ?
C45 H45 0.929(4) . ?
C45 C44 1.392(5) . ?
C3 H3 0.930(4) . ?
C3 C4 1.386(5) . ?
C56 H56 0.932(4) . ?
C47 C44 1.485(5) . ?
C47 C52 1.390(6) . ?
C47 C48 1.399(6) . ?
C78 H78 0.932(4) . ?
C78 C73 1.397(5) . ?
C78 C77 1.380(6) . ?
C73 C74 1.383(5) . ?
C30 H30 0.930(4) . ?
C61 H61 0.931(5) . ?
C61 C60 1.392(6) . ?
C61 C62 1.400(6) . ?
C59 H59 0.929(4) . ?
C59 C58 1.378(5) . ?
C35 H35 0.929(4) . ?
C68 H68 0.929(4) . ?
C74 H74 0.930(4) . ?
C74 C75 1.389(6) . ?
C80 H80 0.928(4) . ?
C80 C81 1.378(6) . ?
C58 H58 0.930(4) . ?
C60 C65 1.400(6) . ?
C21 C26 1.391(6) . ?
C81 H81 0.930(4) . ?
C81 C82 1.381(6) . ?
C82 H82 0.929(4) . ?
C82 C83 1.383(5) . ?
C83 H83 0.930(4) . ?
C39 H39 0.932(4) . ?
C39 C38 1.387(5) . ?
C75 H75 0.929(4) . ?
C85 H85 0.929(4) . ?
C85 C86 1.387(6) . ?
C65 H65 0.929(5) . ?
C65 C64 1.397(6) . ?
C4 H4 0.930(4) . ?
C4 C5 1.386(6) . ?
C62 H62 0.931(5) . ?
C62 C63 1.374(7) . ?
C2S N1S 1.129(7) . ?
C2S C1S 1.458(8) . ?
C5 C8 1.546(9) . ?
C5 C6 1.400(6) . ?
C5 C8A 1.517(10) . ?
C51 H51 0.929(5) . ?
C51 C52 1.398(6) . ?
C51 C50 1.374(7) . ?
C38 H38 0.931(4) . ?
C38 C37 1.376(6) . ?
C52 H52 0.929(5) . ?
C64 H64 0.931(5) . ?
C64 C63 1.357(7) . ?
C50 H50 0.928(4) . ?
C50 C49 1.381(7) . ?
C48 H48 0.930(5) . ?
C48 C49 1.390(6) . ?
C37 H37 0.929(4) . ?
C49 H49 0.929(5) . ?
C13 H13 0.939(9) . ?
C13 C12 1.385(13) . ?
C13 C8 1.370(11) . ?
C12 H12 0.936(10) . ?
C12 C11 1.380(13) . ?
C11 H11 0.928(9) . ?
C11 C10 1.384(13) . ?
C10 H10 0.937(9) . ?
C10 C9 1.389(13) . ?
C9 H9 0.922(9) . ?
C9 C8 1.425(12) . ?
C63 H63 0.930(4) . ?
C7 H7 0.930(4) . ?
C7 C6 1.384(6) . ?
C24 H24 0.930(4) . ?
C24 C25 1.373(7) . ?
C77 H77 0.931(4) . ?
C88 H88 0.929(4) . ?
C88 C87 1.374(5) . ?
C86 H86 0.930(4) . ?
C86 C87 1.362(6) . ?
C26 H26 0.931(4) . ?
C26 C25 1.388(6) . ?
C1S H1SA 0.960(6) . ?
C1S H1SB 0.961(6) . ?
C1S H1SC 0.961(6) . ?
C6 H6 0.931(4) . ?
C87 H87 0.929(4) . ?
C25 H25 0.928(5) . ?
C8A C13A 1.429(13) . ?
C8A C9A 1.348(13) . ?
C13A H13A 0.936(10) . ?
C13A C12A 1.369(16) . ?
C12A H12A 0.893(13) . ?
C12A C11A 1.430(16) . ?
C11A H11A 0.942(13) . ?
C11A C10A 1.413(15) . ?
C10A H10A 0.896(11) . ?
C10A C9A 1.417(14) . ?
C9A H9A 0.944(10) . ?
N2S C3S 1.109(15) . ?
C3S C4S 1.322(19) . ?
C4S H4SA 0.960(19) . ?
C4S H4SB 1.006(18) . ?
C4S H4SC 1.048(18) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O15 Tb1 O13 51.88(8) . . ?
O15 Tb1 N3 25.95(8) . . ?
O7 Tb1 O15 77.12(9) . . ?
O7 Tb1 O11 70.77(9) . . ?
O7 Tb1 O6 146.96(9) . . ?
O7 Tb1 O4 141.24(9) . . ?
O7 Tb1 O13 72.76(9) . . ?
O7 Tb1 N3 73.34(9) . . ?
O11 Tb1 O15 139.00(9) . . ?
O11 Tb1 O13 134.42(9) . . ?
O11 Tb1 N3 144.11(8) . . ?
O6 Tb1 O15 77.27(9) . . ?
O6 Tb1 O11 140.84(9) . . ?
O6 Tb1 O4 71.79(9) . . ?
O6 Tb1 O13 75.08(9) . . ?
O6 Tb1 N3 74.47(9) . . ?
O4 Tb1 O15 130.94(9) . . ?
O4 Tb1 O11 71.26(9) . . ?
O4 Tb1 O13 143.76(9) . . ?
O4 Tb1 N3 144.25(9) . . ?
O13 Tb1 N3 25.94(8) . . ?
O9 Tb1 O15 74.21(9) . . ?
O9 Tb1 O7 86.04(9) . . ?
O9 Tb1 O11 78.72(9) . . ?
O9 Tb1 O6 106.57(9) . . ?
O9 Tb1 O4 79.26(9) . . ?
O9 Tb1 O13 124.84(9) . . ?
O9 Tb1 N3 99.61(9) . . ?
O2 Tb1 O15 124.90(9) . . ?
O2 Tb1 O7 94.17(10) . . ?
O2 Tb1 O11 82.91(9) . . ?
O2 Tb1 O6 83.72(9) . . ?
O2 Tb1 O4 88.65(9) . . ?
O2 Tb1 O13 73.40(9) . . ?
O2 Tb1 O9 160.47(9) . . ?
O2 Tb1 N3 99.15(10) . . ?
O10 Zn2 N2 102.02(11) . . ?
O10 Zn2 O12 120.88(11) . . ?
O8 Zn2 O10 110.96(11) . . ?
O8 Zn2 N2 97.49(11) . . ?
O8 Zn2 O12 121.08(11) . . ?
O12 Zn2 N2 97.33(11) . . ?
O3 Zn1 N1 101.08(11) . . ?
O1 Zn1 O3 131.05(11) . . ?
O1 Zn1 N1 93.94(12) . . ?
O1 Zn1 O5 113.54(11) . . ?
O5 Zn1 O3 105.26(11) . . ?
O5 Zn1 N1 108.49(11) . . ?
N3 O15 Tb1 96.4(2) . . ?
C14 O3 Zn1 117.4(2) . . ?
C40 O7 Tb1 138.8(2) . . ?
C66 O11 Tb1 136.6(2) . . ?
C53 O10 Zn2 117.8(2) . . ?
C27 O6 Tb1 157.1(2) . . ?
C40 O8 Zn2 119.6(2) . . ?
C14 O4 Tb1 152.6(2) . . ?
N3 O13 Tb1 95.6(2) . . ?
C53 O9 Tb1 137.6(2) . . ?
C1 O1 Zn1 127.9(2) . . ?
C79 N1 Zn1 121.7(2) . . ?
C79 N1 C83 118.3(3) . . ?
C83 N1 Zn1 119.7(3) . . ?
O7 C40 C41 118.0(3) . . ?
O8 C40 O7 124.9(4) . . ?
O8 C40 C41 117.1(3) . . ?
C27 O5 Zn1 119.0(2) . . ?
O15 N3 Tb1 57.66(16) . . ?
O13 N3 Tb1 58.44(17) . . ?
O13 N3 O15 116.1(3) . . ?
O14 N3 Tb1 179.7(3) . . ?
O14 N3 O15 122.2(3) . . ?
O14 N3 O13 121.7(3) . . ?
C1 O2 Tb1 151.8(3) . . ?
C84 N2 Zn2 122.3(2) . . ?
C88 N2 Zn2 119.3(2) . . ?
C88 N2 C84 118.2(3) . . ?
C66 O12 Zn2 102.5(2) . . ?
C3 C2 C1 120.4(3) . . ?
C3 C2 C7 119.4(3) . . ?
C7 C2 C1 120.2(3) . . ?
C75 C76 H76 120.0(5) . . ?
C77 C76 H76 120.1(4) . . ?
C77 C76 C75 119.8(4) . . ?
C54 C55 H55 119.7(4) . . ?
C56 C55 H55 119.7(4) . . ?
C56 C55 C54 120.6(3) . . ?
C16 C17 H17 119.4(4) . . ?
C16 C17 C18 121.2(4) . . ?
C18 C17 H17 119.3(4) . . ?
O3 C14 C15 117.7(3) . . ?
O4 C14 O3 123.6(3) . . ?
O4 C14 C15 118.7(3) . . ?
C69 C70 C71 118.6(3) . . ?
C69 C70 C73 118.6(3) . . ?
C71 C70 C73 122.8(3) . . ?
O11 C66 O12 120.1(3) . . ?
O11 C66 C67 118.9(3) . . ?
O12 C66 C67 120.9(3) . . ?
C42 C41 C40 121.8(3) . . ?
C42 C41 C46 119.0(3) . . ?
C46 C41 C40 119.1(3) . . ?
C32 C33 H33 119.9(4) . . ?
C32 C33 C28 120.3(3) . . ?
C28 C33 H33 119.9(4) . . ?
C20 C19 H19 119.3(4) . . ?
C20 C19 C18 121.6(3) . . ?
C18 C19 H19 119.1(4) . . ?
C41 C42 H42 119.8(4) . . ?
C43 C42 C41 120.5(4) . . ?
C43 C42 H42 119.7(4) . . ?
C32 C31 C34 119.5(3) . . ?
C32 C31 C30 118.7(3) . . ?
C30 C31 C34 121.8(3) . . ?
O6 C27 O5 124.4(3) . . ?
O6 C27 C28 118.0(3) . . ?
O5 C27 C28 117.5(3) . . ?
N1 C79 H79 118.7(4) . . ?
N1 C79 C80 122.6(4) . . ?
C80 C79 H79 118.7(4) . . ?
C72 C67 C66 123.3(3) . . ?
C72 C67 C68 119.0(3) . . ?
C68 C67 C66 117.6(3) . . ?
C17 C16 H16 119.5(4) . . ?
C17 C16 C15 120.8(4) . . ?
C15 C16 H16 119.7(4) . . ?
C28 C29 H29 120.0(4) . . ?
C30 C29 H29 120.0(4) . . ?
C30 C29 C28 120.0(3) . . ?
C67 C72 H72 119.8(4) . . ?
C67 C72 C71 120.4(4) . . ?
C71 C72 H72 119.8(4) . . ?
C19 C20 H20 120.0(4) . . ?
C19 C20 C15 120.0(3) . . ?
C15 C20 H20 120.1(4) . . ?
N2 C84 H84 119.0(4) . . ?
N2 C84 C85 122.2(4) . . ?
C85 C84 H84 118.9(4) . . ?
C35 C36 H36 119.6(5) . . ?
C37 C36 H36 119.8(4) . . ?
C37 C36 C35 120.7(4) . . ?
C42 C43 H43 119.4(4) . . ?
C42 C43 C44 121.2(4) . . ?
C44 C43 H43 119.4(4) . . ?
C70 C69 H69 119.7(4) . . ?
C68 C69 C70 120.8(4) . . ?
C68 C69 H69 119.6(4) . . ?
C56 C57 C58 118.3(3) . . ?
C56 C57 C60 120.9(4) . . ?
C58 C57 C60 120.8(4) . . ?
C17 C18 C19 117.5(3) . . ?
C17 C18 C21 120.6(3) . . ?
C19 C18 C21 121.9(3) . . ?
C55 C54 C53 119.8(3) . . ?
C55 C54 C59 118.4(3) . . ?
C59 C54 C53 121.8(3) . . ?
C22 C23 H23 120.0(4) . . ?
C24 C23 H23 120.0(4) . . ?
C24 C23 C22 120.1(4) . . ?
C33 C32 C31 120.9(3) . . ?
C33 C32 H32 119.5(4) . . ?
C31 C32 H32 119.6(4) . . ?
C41 C46 H46 120.0(4) . . ?
C45 C46 C41 120.0(4) . . ?
C45 C46 H46 120.0(4) . . ?
C70 C71 H71 119.6(4) . . ?
C72 C71 C70 120.6(4) . . ?
C72 C71 H71 119.8(4) . . ?
C35 C34 C31 119.9(4) . . ?
C35 C34 C39 119.0(4) . . ?
C39 C34 C31 121.0(4) . . ?
C23 C22 H22 119.6(4) . . ?
C21 C22 C23 120.9(4) . . ?
C21 C22 H22 119.5(4) . . ?
O10 C53 C54 118.7(3) . . ?
O9 C53 O10 123.0(3) . . ?
O9 C53 C54 118.3(3) . . ?
C46 C45 H45 119.4(4) . . ?
C46 C45 C44 121.2(4) . . ?
C44 C45 H45 119.4(4) . . ?
C2 C3 H3 119.8(4) . . ?
C2 C3 C4 120.1(4) . . ?
C4 C3 H3 120.1(4) . . ?
O1 C1 C2 117.5(3) . . ?
O2 C1 O1 124.4(4) . . ?
O2 C1 C2 118.1(3) . . ?
C16 C15 C14 121.0(3) . . ?
C16 C15 C20 118.9(3) . . ?
C20 C15 C14 120.2(3) . . ?
C33 C28 C27 119.5(3) . . ?
C33 C28 C29 119.3(3) . . ?
C29 C28 C27 121.1(3) . . ?
C55 C56 C57 120.9(4) . . ?
C55 C56 H56 119.6(4) . . ?
C57 C56 H56 119.5(4) . . ?
C52 C47 C44 121.0(4) . . ?
C52 C47 C48 117.7(4) . . ?
C48 C47 C44 121.3(4) . . ?
C43 C44 C47 122.6(4) . . ?
C45 C44 C43 118.0(4) . . ?
C45 C44 C47 119.5(4) . . ?
C73 C78 H78 119.3(4) . . ?
C77 C78 H78 119.6(4) . . ?
C77 C78 C73 121.1(4) . . ?
C78 C73 C70 122.0(3) . . ?
C74 C73 C70 120.1(3) . . ?
C74 C73 C78 117.9(4) . . ?
C31 C30 H30 119.6(4) . . ?
C29 C30 C31 120.7(3) . . ?
C29 C30 H30 119.6(4) . . ?
C60 C61 H61 120.0(4) . . ?
C60 C61 C62 120.1(4) . . ?
C62 C61 H61 119.9(5) . . ?
C54 C59 H59 119.7(4) . . ?
C58 C59 C54 120.5(4) . . ?
C58 C59 H59 119.8(4) . . ?
C36 C35 H35 120.0(4) . . ?
C34 C35 C36 119.6(4) . . ?
C34 C35 H35 120.4(4) . . ?
C67 C68 H68 119.7(4) . . ?
C69 C68 C67 120.6(3) . . ?
C69 C68 H68 119.7(4) . . ?
C73 C74 H74 119.2(4) . . ?
C73 C74 C75 121.5(4) . . ?
C75 C74 H74 119.3(4) . . ?
C79 C80 H80 120.5(4) . . ?
C79 C80 C81 118.9(4) . . ?
C81 C80 H80 120.6(4) . . ?
C57 C58 H58 119.4(4) . . ?
C59 C58 C57 121.3(4) . . ?
C59 C58 H58 119.3(4) . . ?
C61 C60 C57 120.6(4) . . ?
C61 C60 C65 118.7(4) . . ?
C65 C60 C57 120.7(4) . . ?
C22 C21 C18 121.1(3) . . ?
C22 C21 C26 118.3(4) . . ?
C26 C21 C18 120.5(4) . . ?
C80 C81 H81 120.5(5) . . ?
C80 C81 C82 119.2(4) . . ?
C82 C81 H81 120.3(4) . . ?
C81 C82 H82 120.9(4) . . ?
C81 C82 C83 118.5(4) . . ?
C83 C82 H82 120.7(4) . . ?
N1 C83 C82 122.5(4) . . ?
N1 C83 H83 118.6(4) . . ?
C82 C83 H83 118.9(4) . . ?
C34 C39 H39 119.7(4) . . ?
C38 C39 C34 120.7(4) . . ?
C38 C39 H39 119.6(4) . . ?
C76 C75 H75 120.2(4) . . ?
C74 C75 C76 119.4(4) . . ?
C74 C75 H75 120.3(4) . . ?
C84 C85 H85 120.5(4) . . ?
C84 C85 C86 119.0(4) . . ?
C86 C85 H85 120.5(4) . . ?
C60 C65 H65 120.0(4) . . ?
C64 C65 C60 120.0(5) . . ?
C64 C65 H65 120.0(5) . . ?
C3 C4 H4 119.3(4) . . ?
C5 C4 C3 121.2(4) . . ?
C5 C4 H4 119.5(4) . . ?
C61 C62 H62 120.0(5) . . ?
C63 C62 C61 120.0(5) . . ?
C63 C62 H62 120.0(5) . . ?
N1S C2S C1S 177.9(6) . . ?
C4 C5 C8 115.4(5) . . ?
C4 C5 C6 118.3(4) . . ?
C4 C5 C8A 127.1(5) . . ?
C6 C5 C8 124.2(5) . . ?
C6 C5 C8A 112.1(5) . . ?
C52 C51 H51 119.9(6) . . ?
C50 C51 H51 120.2(5) . . ?
C50 C51 C52 119.8(5) . . ?
C39 C38 H38 119.9(5) . . ?
C37 C38 C39 120.1(4) . . ?
C37 C38 H38 120.0(4) . . ?
C47 C52 C51 121.2(5) . . ?
C47 C52 H52 119.4(4) . . ?
C51 C52 H52 119.3(5) . . ?
C65 C64 H64 119.7(6) . . ?
C63 C64 C65 120.4(5) . . ?
C63 C64 H64 119.9(5) . . ?
C51 C50 H50 119.8(6) . . ?
C51 C50 C49 120.1(4) . . ?
C49 C50 H50 120.1(6) . . ?
C47 C48 H48 119.4(4) . . ?
C49 C48 C47 121.0(5) . . ?
C49 C48 H48 119.6(5) . . ?
C36 C37 H37 120.0(5) . . ?
C38 C37 C36 120.0(4) . . ?
C38 C37 H37 120.1(5) . . ?
C50 C49 C48 120.1(5) . . ?
C50 C49 H49 119.9(5) . . ?
C48 C49 H49 120.0(6) . . ?
C12 C13 H13 119.9(10) . . ?
C8 C13 H13 119.1(9) . . ?
C8 C13 C12 121.0(9) . . ?
C13 C12 H12 119.8(10) . . ?
C11 C12 C13 120.3(9) . . ?
C11 C12 H12 119.9(10) . . ?
C12 C11 H11 120.7(9) . . ?
C12 C11 C10 119.6(9) . . ?
C10 C11 H11 119.6(9) . . ?
C11 C10 H10 120.6(9) . . ?
C11 C10 C9 121.0(9) . . ?
C9 C10 H10 118.3(9) . . ?
C10 C9 H9 121.8(9) . . ?
C10 C9 C8 118.7(8) . . ?
C8 C9 H9 119.5(9) . . ?
C13 C8 C5 120.6(7) . . ?
C13 C8 C9 119.3(8) . . ?
C9 C8 C5 119.9(6) . . ?
C62 C63 H63 119.6(6) . . ?
C64 C63 C62 120.8(4) . . ?
C64 C63 H63 119.6(6) . . ?
C2 C7 H7 119.9(4) . . ?
C6 C7 C2 120.4(4) . . ?
C6 C7 H7 119.7(4) . . ?
C23 C24 H24 120.2(5) . . ?
C23 C24 C25 119.8(4) . . ?
C25 C24 H24 120.0(5) . . ?
C76 C77 C78 120.2(4) . . ?
C76 C77 H77 119.9(4) . . ?
C78 C77 H77 119.9(5) . . ?
N2 C88 H88 119.1(4) . . ?
N2 C88 C87 121.8(3) . . ?
C87 C88 H88 119.2(4) . . ?
C85 C86 H86 120.7(4) . . ?
C87 C86 C85 118.6(4) . . ?
C87 C86 H86 120.7(4) . . ?
C21 C26 H26 119.8(4) . . ?
C25 C26 C21 120.4(4) . . ?
C25 C26 H26 119.8(4) . . ?
C2S C1S H1SA 109.5(6) . . ?
C2S C1S H1SB 109.5(5) . . ?
C2S C1S H1SC 109.4(5) . . ?
H1SA C1S H1SB 109.5(5) . . ?
H1SA C1S H1SC 109.5(6) . . ?
H1SB C1S H1SC 109.5(7) . . ?
C5 C6 H6 119.9(4) . . ?
C7 C6 C5 120.4(4) . . ?
C7 C6 H6 119.7(4) . . ?
C88 C87 H87 119.9(4) . . ?
C86 C87 C88 120.3(4) . . ?
C86 C87 H87 119.9(4) . . ?
C24 C25 C26 120.6(4) . . ?
C24 C25 H25 119.7(5) . . ?
C26 C25 H25 119.8(5) . . ?
C13A C8A C5 127.7(8) . . ?
C9A C8A C5 114.0(8) . . ?
C9A C8A C13A 118.3(9) . . ?
C8A C13A H13A 118.8(10) . . ?
C12A C13A C8A 122.5(10) . . ?
C12A C13A H13A 118.7(11) . . ?
C13A C12A H12A 124.3(14) . . ?
C13A C12A C11A 116.9(12) . . ?
C11A C12A H12A 118.7(14) . . ?
C12A C11A H11A 119.2(13) . . ?
C10A C11A C12A 122.4(12) . . ?
C10A C11A H11A 118.0(12) . . ?
C11A C10A H10A 121.0(12) . . ?
C11A C10A C9A 116.1(10) . . ?
C9A C10A H10A 122.9(11) . . ?
C8A C9A C10A 123.4(10) . . ?
C8A C9A H9A 120.2(10) . . ?
C10A C9A H9A 116.2(10) . . ?
N2S C3S C4S 171.1(17) . . ?
C3S C4S H4SA 120.9(18) . . ?
C3S C4S H4SB 115.4(17) . . ?
C3S C4S H4SC 110.4(16) . . ?
H4SA C4S H4SB 105.7(17) . . ?
H4SA C4S H4SC 102.4(17) . . ?
H4SB C4S H4SC 99.4(16) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Tb1 O15 N3 O13 0.5(3) . . . . ?
Tb1 O15 N3 O14 179.7(3) . . . . ?
Tb1 O7 C40 O8 70.7(5) . . . . ?
Tb1 O7 C40 C41 -109.0(4) . . . . ?
Tb1 O11 C66 O12 96.0(4) . . . . ?
Tb1 O11 C66 C67 -84.9(4) . . . . ?
Tb1 O6 C27 O5 -47.0(8) . . . . ?
Tb1 O6 C27 C28 134.0(5) . . . . ?
Tb1 O4 C14 O3 -74.6(6) . . . . ?
Tb1 O4 C14 C15 105.6(5) . . . . ?
Tb1 O13 N3 O15 -0.5(3) . . . . ?
Tb1 O13 N3 O14 -179.7(3) . . . . ?
Tb1 O9 C53 O10 69.7(5) . . . . ?
Tb1 O9 C53 C54 -112.6(4) . . . . ?
Tb1 O2 C1 O1 -38.2(8) . . . . ?
Tb1 O2 C1 C2 141.4(4) . . . . ?
Zn2 O10 C53 O9 6.2(5) . . . . ?
Zn2 O10 C53 C54 -171.5(2) . . . . ?
Zn2 O8 C40 O7 -11.8(5) . . . . ?
Zn2 O8 C40 C41 167.9(2) . . . . ?
Zn2 N2 C84 C85 -174.5(3) . . . . ?
Zn2 N2 C88 C87 174.6(3) . . . . ?
Zn2 O12 C66 O11 5.4(4) . . . . ?
Zn2 O12 C66 C67 -173.7(3) . . . . ?
Zn1 O3 C14 O4 9.6(5) . . . . ?
Zn1 O3 C14 C15 -170.7(2) . . . . ?
Zn1 O1 C1 O2 -3.8(5) . . . . ?
Zn1 O1 C1 C2 176.6(2) . . . . ?
Zn1 N1 C79 C80 173.9(3) . . . . ?
Zn1 N1 C83 C82 -173.1(3) . . . . ?
Zn1 O5 C27 O6 -10.0(5) . . . . ?
Zn1 O5 C27 C28 169.0(2) . . . . ?
O3 C14 C15 C16 11.3(5) . . . . ?
O3 C14 C15 C20 -170.0(3) . . . . ?
O7 C40 C41 C42 -20.5(5) . . . . ?
O7 C40 C41 C46 156.8(3) . . . . ?
O11 C66 C67 C72 168.1(4) . . . . ?
O11 C66 C67 C68 -10.2(5) . . . . ?
O6 C27 C28 C33 6.9(5) . . . . ?
O6 C27 C28 C29 -171.2(3) . . . . ?
O8 C40 C41 C42 159.8(3) . . . . ?
O8 C40 C41 C46 -22.9(5) . . . . ?
O4 C14 C15 C16 -168.9(3) . . . . ?
O4 C14 C15 C20 9.8(5) . . . . ?
N1 C79 C80 C81 -0.8(6) . . . . ?
C40 C41 C42 C43 178.9(3) . . . . ?
C40 C41 C46 C45 -176.5(4) . . . . ?
O5 C27 C28 C33 -172.2(3) . . . . ?
O5 C27 C28 C29 9.7(5) . . . . ?
N2 C84 C85 C86 -0.2(6) . . . . ?
N2 C88 C87 C86 0.3(6) . . . . ?
O12 C66 C67 C72 -12.7(6) . . . . ?
O12 C66 C67 C68 168.9(3) . . . . ?
C2 C3 C4 C5 1.8(7) . . . . ?
C2 C7 C6 C5 0.2(7) . . . . ?
C55 C54 C53 O10 166.3(3) . . . . ?
C55 C54 C53 O9 -11.5(5) . . . . ?
C55 C54 C59 C58 -0.1(6) . . . . ?
C17 C16 C15 C14 178.5(3) . . . . ?
C17 C16 C15 C20 -0.1(6) . . . . ?
C17 C18 C21 C22 39.1(5) . . . . ?
C17 C18 C21 C26 -137.3(4) . . . . ?
C70 C69 C68 C67 0.7(6) . . . . ?
C70 C73 C74 C75 -176.3(4) . . . . ?
C66 C67 C72 C71 -177.7(4) . . . . ?
C66 C67 C68 C69 177.4(3) . . . . ?
C41 C42 C43 C44 -2.4(6) . . . . ?
C41 C46 C45 C44 -2.7(6) . . . . ?
C19 C20 C15 C14 179.8(3) . . . . ?
C19 C20 C15 C16 -1.5(6) . . . . ?
C19 C18 C21 C22 -142.5(4) . . . . ?
C19 C18 C21 C26 41.1(6) . . . . ?
C42 C41 C46 C45 0.8(6) . . . . ?
C42 C43 C44 C45 0.5(6) . . . . ?
C42 C43 C44 C47 -178.8(4) . . . . ?
C31 C34 C35 C36 175.3(4) . . . . ?
C31 C34 C39 C38 -176.0(4) . . . . ?
C79 N1 C83 C82 0.4(6) . . . . ?
C79 C80 C81 C82 0.1(6) . . . . ?
C67 C72 C71 C70 0.1(6) . . . . ?
C16 C17 C18 C19 -0.7(5) . . . . ?
C16 C17 C18 C21 177.8(3) . . . . ?
C72 C67 C68 C69 -1.0(6) . . . . ?
C20 C19 C18 C17 -1.0(6) . . . . ?
C20 C19 C18 C21 -179.5(4) . . . . ?
C84 N2 C88 C87 -0.5(6) . . . . ?
C84 C85 C86 C87 0.0(6) . . . . ?
C69 C70 C71 C72 -0.4(6) . . . . ?
C69 C70 C73 C78 -134.0(4) . . . . ?
C69 C70 C73 C74 42.7(5) . . . . ?
C57 C60 C65 C64 180.0(4) . . . . ?
C18 C17 C16 C15 1.3(6) . . . . ?
C18 C19 C20 C15 2.1(6) . . . . ?
C18 C21 C26 C25 176.0(4) . . . . ?
C54 C55 C56 C57 0.0(6) . . . . ?
C54 C59 C58 C57 -1.7(6) . . . . ?
C23 C22 C21 C18 -175.5(4) . . . . ?
C23 C22 C21 C26 1.0(6) . . . . ?
C23 C24 C25 C26 0.7(8) . . . . ?
C32 C33 C28 C27 -178.6(3) . . . . ?
C32 C33 C28 C29 -0.5(6) . . . . ?
C32 C31 C34 C35 -130.1(4) . . . . ?
C32 C31 C34 C39 45.8(5) . . . . ?
C32 C31 C30 C29 0.3(6) . . . . ?
C46 C41 C42 C43 1.7(6) . . . . ?
C46 C45 C44 C43 2.0(6) . . . . ?
C46 C45 C44 C47 -178.6(4) . . . . ?
C71 C70 C69 C68 0.0(6) . . . . ?
C71 C70 C73 C78 44.4(6) . . . . ?
C71 C70 C73 C74 -138.9(4) . . . . ?
C34 C31 C32 C33 175.7(4) . . . . ?
C34 C31 C30 C29 -177.8(4) . . . . ?
C34 C39 C38 C37 0.8(7) . . . . ?
C22 C23 C24 C25 -0.2(7) . . . . ?
C22 C21 C26 C25 -0.4(7) . . . . ?
C53 C54 C59 C58 176.8(4) . . . . ?
C3 C2 C1 O1 9.4(5) . . . . ?
C3 C2 C1 O2 -170.2(3) . . . . ?
C3 C2 C7 C6 -2.4(6) . . . . ?
C3 C4 C5 C8 160.2(5) . . . . ?
C3 C4 C5 C6 -4.0(7) . . . . ?
C3 C4 C5 C8A -165.1(6) . . . . ?
C1 C2 C3 C4 -177.2(4) . . . . ?
C1 C2 C7 C6 176.2(4) . . . . ?
C28 C33 C32 C31 2.6(6) . . . . ?
C28 C29 C30 C31 1.7(6) . . . . ?
C56 C55 C54 C53 -176.1(3) . . . . ?
C56 C55 C54 C59 0.9(6) . . . . ?
C56 C57 C58 C59 2.6(6) . . . . ?
C56 C57 C60 C61 -38.8(6) . . . . ?
C56 C57 C60 C65 142.8(4) . . . . ?
C47 C48 C49 C50 0.6(7) . . . . ?
C44 C47 C52 C51 -178.7(4) . . . . ?
C44 C47 C48 C49 178.2(4) . . . . ?
C78 C73 C74 C75 0.5(6) . . . . ?
C73 C70 C69 C68 178.5(3) . . . . ?
C73 C70 C71 C72 -178.8(4) . . . . ?
C73 C78 C77 C76 1.6(7) . . . . ?
C73 C74 C75 C76 0.9(7) . . . . ?
C30 C31 C32 C33 -2.4(6) . . . . ?
C30 C31 C34 C35 48.0(5) . . . . ?
C30 C31 C34 C39 -136.2(4) . . . . ?
C30 C29 C28 C33 -1.6(6) . . . . ?
C30 C29 C28 C27 176.5(3) . . . . ?
C61 C60 C65 C64 1.5(7) . . . . ?
C61 C62 C63 C64 0.3(8) . . . . ?
C59 C54 C53 O10 -10.6(5) . . . . ?
C59 C54 C53 O9 171.6(3) . . . . ?
C35 C36 C37 C38 -0.1(7) . . . . ?
C35 C34 C39 C38 -0.2(6) . . . . ?
C68 C67 C72 C71 0.6(6) . . . . ?
C80 C81 C82 C83 0.7(7) . . . . ?
C58 C57 C56 C55 -1.7(6) . . . . ?
C58 C57 C60 C61 140.9(4) . . . . ?
C58 C57 C60 C65 -37.5(6) . . . . ?
C60 C57 C56 C55 178.0(4) . . . . ?
C60 C57 C58 C59 -177.1(4) . . . . ?
C60 C61 C62 C63 0.8(7) . . . . ?
C60 C65 C64 C63 -0.5(8) . . . . ?
C21 C26 C25 C24 -0.4(8) . . . . ?
C81 C82 C83 N1 -1.0(7) . . . . ?
C83 N1 C79 C80 0.5(6) . . . . ?
C39 C34 C35 C36 -0.6(6) . . . . ?
C39 C38 C37 C36 -0.7(7) . . . . ?
C75 C76 C77 C78 -0.1(7) . . . . ?
C85 C86 C87 C88 0.0(6) . . . . ?
C65 C64 C63 C62 -0.5(8) . . . . ?
C4 C5 C8 C13 -149.6(7) . . . . ?
C4 C5 C8 C9 35.1(9) . . . . ?
C4 C5 C6 C7 3.0(7) . . . . ?
C4 C5 C8A C13A 138.4(9) . . . . ?
C4 C5 C8A C9A -43.4(11) . . . . ?
C62 C61 C60 C57 179.9(4) . . . . ?
C62 C61 C60 C65 -1.7(6) . . . . ?
C5 C8A C13A C12A 173.3(10) . . . . ?
C5 C8A C9A C10A -172.2(9) . . . . ?
C51 C50 C49 C48 0.2(7) . . . . ?
C52 C47 C44 C43 -146.2(4) . . . . ?
C52 C47 C44 C45 34.5(6) . . . . ?
C52 C47 C48 C49 -0.9(6) . . . . ?
C52 C51 C50 C49 -0.6(8) . . . . ?
C50 C51 C52 C47 0.4(7) . . . . ?
C48 C47 C44 C43 34.7(6) . . . . ?
C48 C47 C44 C45 -144.6(4) . . . . ?
C48 C47 C52 C51 0.4(7) . . . . ?
C37 C36 C35 C34 0.8(7) . . . . ?
C13 C12 C11 C10 -3.1(15) . . . . ?
C12 C13 C8 C5 -176.0(8) . . . . ?
C12 C13 C8 C9 -0.7(13) . . . . ?
C12 C11 C10 C9 3.2(14) . . . . ?
C11 C10 C9 C8 -2.0(14) . . . . ?
C10 C9 C8 C5 176.1(7) . . . . ?
C10 C9 C8 C13 0.7(12) . . . . ?
C8 C5 C6 C7 -159.7(5) . . . . ?
C8 C13 C12 C11 1.9(15) . . . . ?
C7 C2 C3 C4 1.5(6) . . . . ?
C7 C2 C1 O1 -169.2(3) . . . . ?
C7 C2 C1 O2 11.1(5) . . . . ?
C24 C23 C22 C21 -0.7(6) . . . . ?
C77 C76 C75 C74 -1.2(7) . . . . ?
C77 C78 C73 C70 174.9(4) . . . . ?
C77 C78 C73 C74 -1.8(6) . . . . ?
C88 N2 C84 C85 0.5(6) . . . . ?
C6 C5 C8 C13 13.5(10) . . . . ?
C6 C5 C8 C9 -161.8(6) . . . . ?
C6 C5 C8A C13A -23.6(11) . . . . ?
C6 C5 C8A C9A 154.6(7) . . . . ?
C8A C5 C6 C7 166.8(5) . . . . ?
C8A C13A C12A C11A -0.4(18) . . . . ?
C13A C8A C9A C10A 6.2(16) . . . . ?
C13A C12A C11A C10A 4.4(19) . . . . ?
C12A C11A C10A C9A -3.1(18) . . . . ?
C11A C10A C9A C8A -2.4(16) . . . . ?
C9A C8A C13A C12A -4.8(16) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Vapour deposition'
_exptl_crystal_preparation       Luminescent
